Geometry & MOs

Info

ID:	401904
PubChem CID:	135053291
Reduced:	NOS2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	294.107836
ΔH_f, kcal/mol:	38.19
Dipole, Da:	4.4
IP(EA), eV:	-8.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-6-(4-methylphenyl)-5-phenyl-6-sulfanylhexa-3,5-dien-2-one

Drug info:

PubChemData

Smile

CSC(=CC(CC#N)(C1=CC2=CC=CC=C2C=C1)O)SC

DOS

IR

Vibrations