Geometry & MOs

Info

ID:	159259
PubChem CID:	57269351
Reduced:	N3O6H21C22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	262.965521
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	5.8
IP(EA), eV:	-10.05(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-5-nitrophenyl)-2-oxoethanesulfinic acid

Drug info:

PubChemData

Smile

CC1=NC(=C([C@@H](C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=N3)C

DOS

IR

Vibrations