Geometry & MOs

Info

ID:	13644
PubChem CID:	396487
Reduced:	SN2O7C12H14 (1)
Stoich.:	AB2C7D12E14 (1)
Weight, g/mol:	330.052172
ΔH_f, kcal/mol:	-280.45
Dipole, Da:	11.91
IP(EA), eV:	-10.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)sulfonylcarbamoylamino]butanedioic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC(=O)O)C(=O)O

DOS

IR

Vibrations