Geometry & MOs

Info

ID:	267013
PubChem CID:	103580439
Reduced:	BrNSO2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	371.97794
ΔH_f, kcal/mol:	-97.08
Dipole, Da:	4.22
IP(EA), eV:	-8.82(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NS(=O)(=O)CC(C)C

DOS

IR

Vibrations