Geometry & MOs

Info

ID:	198347
PubChem CID:	79090278
Reduced:	NSO2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	275.093977
ΔH_f, kcal/mol:	-103.17
Dipole, Da:	1.09
IP(EA), eV:	-8.66(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(N1NS(=O)(=O)C2=CC=C(S2)CC(=O)O)C

DOS

IR

Vibrations