Geometry & MOs

Info

ID:	124617
PubChem CID:	50889817
Reduced:	ClNSO4C12H16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	384.018285
ΔH_f, kcal/mol:	-171.74
Dipole, Da:	2.43
IP(EA), eV:	-9.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-N-(2-nitrophenyl)sulfonylanilino)propanoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CCCC(=O)O)C1=CC=CC=C1Cl

DOS

IR

Vibrations