Geometry & MOs

Info

ID:	14061
PubChem CID:	403132
Reduced:	NSO2Cl3H20C24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	491.028033
ΔH_f, kcal/mol:	-43.52
Dipole, Da:	3.36
IP(EA), eV:	-9.07(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1,3-bis(4-chlorophenyl)-3-oxopropyl]sulfanyl-N-(4-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)SCCC(=O)NC3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations