Geometry & MOs

Info

ID:	124716
PubChem CID:	50893838
Reduced:	SCl2N2O5H12C15 (1)
Stoich.:	AB2C2D5E12F15 (1)
Weight, g/mol:	414.987713
ΔH_f, kcal/mol:	-89.42
Dipole, Da:	5.04
IP(EA), eV:	-10.09(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-5-nitro-N-(3-nitrophenyl)sulfonylanilino)acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)Cl)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations