Geometry & MOs

Info

ID:	198310
PubChem CID:	79084548
Reduced:	SN4O4C12H16 (1)
Stoich.:	AB4C4D12E16 (1)
Weight, g/mol:	308.083078
ΔH_f, kcal/mol:	-92.33
Dipole, Da:	1.91
IP(EA), eV:	-8.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(N1NS(=O)(=O)C2=CN(N=C2)CCC(=O)O)C

DOS

IR

Vibrations