Geometry & MOs

Info

ID:	20398
PubChem CID:	583725
Reduced:	OSCl2H20C23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	414.061192
ΔH_f, kcal/mol:	-3.52
Dipole, Da:	5.24
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1-(3,4-dimethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations