Geometry & MOs

Info

ID:	13099
PubChem CID:	221242
Reduced:	SN2O4H8C12 (1)
Stoich.:	AB2C4D8E12 (1)
Weight, g/mol:	276.020478
ΔH_f, kcal/mol:	-26.65
Dipole, Da:	5.69
IP(EA), eV:	-9.79(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-nitropyridin-2-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)SC2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations