Geometry & MOs

Info

ID:	138808
PubChem CID:	52428371
Reduced:	ClNSO4C20H22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	475.041185
ΔH_f, kcal/mol:	-146.08
Dipole, Da:	2.96
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzamido-3-chlorophenyl)sulfanylethyl 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)SCCOC(=O)C2=CC=CC(=C2OC)C)Cl

DOS

IR

Vibrations