Geometry & MOs

Info

ID:	265378
PubChem CID:	103519056
Reduced:	BrSN2O4H7C12 (1)
Stoich.:	ABC2D4E7F12 (1)
Weight, g/mol:	353.93099
ΔH_f, kcal/mol:	-10.62
Dipole, Da:	5.27
IP(EA), eV:	-9.56(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-nitropyridin-4-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)SC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations