Geometry & MOs

Info

ID:	124731
PubChem CID:	50894223
Reduced:	SCl2N3O7H9C14 (1)
Stoich.:	AB2C3D7E9F14 (1)
Weight, g/mol:	403.963663
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	8.41
IP(EA), eV:	-10.53(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-N-(4-chlorophenyl)sulfonyl-5-nitroanilino)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations