Geometry & MOs

Info

ID:	428748
PubChem CID:	135168062
Reduced:	NH24C39 (2)
Stoich.:	AB24C39 (2)
Weight, g/mol:	994.338171
ΔH_f, kcal/mol:	346.79
Dipole, Da:	1.45
IP(EA), eV:	-8.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C7=CC=C1)C1=CC2=C(C3=CC=CC=C31)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C7=CC=C1)C1=CC2=C(C3=CC=CC=C31)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C7=CC=C1)C1=CC2=C(C3=CC=CC=C31)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):