Geometry & MOs

Info

ID:	124668
PubChem CID:	50891632
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	392.104208
ΔH_f, kcal/mol:	-180.41
Dipole, Da:	8.27
IP(EA), eV:	-9.38(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethyl-N-(2-nitrophenyl)sulfonylanilino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations