Geometry & MOs

Info

ID:	384444
PubChem CID:	134977004
Reduced:	NS2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	396.064257
ΔH_f, kcal/mol:	96.29
Dipole, Da:	4.11
IP(EA), eV:	-8.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-diphenyl-3,4-dithiophen-2-ylcyclopenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2=CC(=C(C3=C2CC3)C#N)SC

DOS

IR

Vibrations