Geometry & MOs

Info

ID:	302018
PubChem CID:	123110211
Reduced:	NSO4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	393.080157
ΔH_f, kcal/mol:	-131.91
Dipole, Da:	2.43
IP(EA), eV:	-8.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[[2-(3-chloroanilino)-2-oxoethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CS(=O)CC2=CC(=CC=C2)C(=O)OCC

DOS

IR

Vibrations