Geometry & MOs

Info

ID:	394041
PubChem CID:	135022207
Reduced:	OH10C13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	398.079908
ΔH_f, kcal/mol:	53.95
Dipole, Da:	1.33
IP(EA), eV:	-8.45(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-diphenyl-3,4-dithiophen-2-ylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(C(=C1C2=CC=CC=C2)C3=CC=CO3)C4=CC=CO4)C5=CC=CC=C5

DOS

IR

Vibrations