Geometry & MOs

Info

ID:	27545
PubChem CID:	821945
Reduced:	NSH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	286.066365
ΔH_f, kcal/mol:	105.56
Dipole, Da:	3.66
IP(EA), eV:	-9.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-4-phenylbut-3-en-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC(=NC#N)SCC2=CC=CC=C2

DOS

IR

Vibrations