Geometry & MOs

Info

ID:	310264
PubChem CID:	126577541
Reduced:	SN2H18C31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	640.172168
ΔH_f, kcal/mol:	169.44
Dipole, Da:	4.21
IP(EA), eV:	-8.36(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[5-cyano-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C=CC=C4C5=CC6=C(C=C5)C7=CC=CC=C7S6)C#N

DOS

IR

Vibrations