Geometry & MOs

Info

ID:	302646
PubChem CID:	124391281
Reduced:	ClNSO3H18C21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	396.091056
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	3.96
IP(EA), eV:	-8.6(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chloro-4-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C1[C@@H](N[C@@H](S1)C2=C(C=CC3=CC=CC=C32)OCC4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations