Geometry & MOs

Info

ID:	328807
PubChem CID:	126727995
Reduced:	NSO2C7H11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	728.242356
ΔH_f, kcal/mol:	-67.7
Dipole, Da:	4.89
IP(EA), eV:	-8.44(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,5-bis[4-(3,6-dimethoxycarbazol-9-yl)phenyl]penta-1,4-diyn-3-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CCC1

DOS

IR

Vibrations