Geometry & MOs

Info

ID:	124618
PubChem CID:	50889818
Reduced:	ClSN2O6H13C15 (1)
Stoich.:	ABC2D6E13F15 (1)
Weight, g/mol:	350.057257
ΔH_f, kcal/mol:	-126.06
Dipole, Da:	7.97
IP(EA), eV:	-9.6(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-N-(3-nitrophenyl)sulfonylanilino)acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N(CCC(=O)O)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations