Geometry & MOs

Info

ID:	21624
PubChem CID:	589296
Reduced:	OSCl2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	321.998592
ΔH_f, kcal/mol:	15.3
Dipole, Da:	1.43
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dichlorophenyl)sulfanyl-1-(4-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C=CSC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations