Geometry & MOs

Info

ID:	124633
PubChem CID:	50890517
Reduced:	BrNSO4C11H14 (1)
Stoich.:	ABCD4E11F14 (1)
Weight, g/mol:	382.063486
ΔH_f, kcal/mol:	-147.13
Dipole, Da:	5.32
IP(EA), eV:	-9.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-N-(3-nitrophenyl)sulfonylanilino)butanoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)OC)C1=CC=CC=C1Br

DOS

IR

Vibrations