Geometry & MOs

Info

ID:	440932
PubChem CID:	135232297
Reduced:	SH24C39 (1)
Stoich.:	AB24C39 (1)
Weight, g/mol:	450.107836
ΔH_f, kcal/mol:	173.64
Dipole, Da:	0.92
IP(EA), eV:	-8.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-phenyl-9-oxa-21-thiaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(28),2(10),3,5,7,11,13,15,17,19,22,24,26-tridecaene

Drug info:

PubChemData

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(C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=C4C7=C(C=C6)C8=CC=CC=C8S7)C9=CC=CC=C9

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(C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=C4C7=C(C=C6)C8=CC=CC=C8S7)C9=CC=CC=C9

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):