Geometry & MOs

Info

ID:	267453
PubChem CID:	103582273
Reduced:	BrClNSO2C9H9 (1)
Stoich.:	ABCDE2F9G9 (1)
Weight, g/mol:	422.8154
ΔH_f, kcal/mol:	-67.1
Dipole, Da:	2.77
IP(EA), eV:	-9.68(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(5-bromo-3-chloropyridin-2-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)SC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations