Geometry & MOs

Info

ID:	301865
PubChem CID:	123098483
Reduced:	ClNSO4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	375.090722
ΔH_f, kcal/mol:	-153.31
Dipole, Da:	6.89
IP(EA), eV:	-8.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfinylbutanoate

Drug info:

PubChemData

Smile

CCC(C(=O)OC)S(=O)CC(=O)NC1=CC=C(C=C1)Cl

DOS

IR

Vibrations