Geometry & MOs

Info

ID:	267454
PubChem CID:	103582274
Reduced:	ClNSBr2O2H6C12 (1)
Stoich.:	ABCD2E2F6G12 (1)
Weight, g/mol:	356.92259
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	4.7
IP(EA), eV:	-9.28(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-3-chloropyridin-2-yl)sulfanyl-2-methylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SC2=C(C=C(C=N2)Br)Cl)C(=O)O)Br

DOS

IR

Vibrations