Geometry & MOs

Info

ID:	301998
PubChem CID:	123108486
Reduced:	OSCl2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	359.954534
ΔH_f, kcal/mol:	-45.51
Dipole, Da:	5.29
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfinyl]ethanone

Drug info:

PubChemData

Smile

CC(C)CCS(=O)CC1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations