Geometry & MOs

Info

ID:	265379
PubChem CID:	103519066
Reduced:	BrSN2O4H7C12 (1)
Stoich.:	ABC2D4E7F12 (1)
Weight, g/mol:	374.89831
ΔH_f, kcal/mol:	-11.25
Dipole, Da:	2.56
IP(EA), eV:	-9.52(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-nitropyridin-4-yl)sulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations