Geometry & MOs

Info

ID:	311294
PubChem CID:	126590295
Reduced:	FSO5N7C26H32 (1)
Stoich.:	ABC5D7E26F32 (1)
Weight, g/mol:	739.298748
ΔH_f, kcal/mol:	-94.73
Dipole, Da:	4.9
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[4-[9-(3-phenylphenyl)carbazol-3-yl]cyclohexa-1,5-dien-1-yl]carbazol-9-yl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)OC)C2=NN=C(N2C3=C(C=CC=C3OC)OC)NS(=O)(=O)[C@@H](C)[C@H](C)C(=N/C=C(\C)/F)N=C

DOS

IR

Vibrations