Geometry & MOs

Info

ID:	377400
PubChem CID:	134223451
Reduced:	OSN2H28C48 (1)
Stoich.:	ABC2D28E48 (1)
Weight, g/mol:	816.277678
ΔH_f, kcal/mol:	189.91
Dipole, Da:	1.41
IP(EA), eV:	-7.93(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-phenylphenyl)-10-[7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole

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)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C(=C6)C8=CC=CC=C8S7)C9=CC=CC=C9)C1=C2C=C2C3=CC=CC=C3OC2=C1

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)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C(=C6)C8=CC=CC=C8S7)C9=CC=CC=C9)C1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):