Geometry & MOs

Info

ID:	198311
PubChem CID:	79084549
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	371.97794
ΔH_f, kcal/mol:	-108.93
Dipole, Da:	4.22
IP(EA), eV:	-8.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(N1NS(=O)(=O)C2=CC=CC(=C2C)C(=O)O)C

DOS

IR

Vibrations