Geometry & MOs

Info

ID:	267452
PubChem CID:	103582263
Reduced:	BrClNSO2H7C12 (1)
Stoich.:	ABCDE2F7G12 (1)
Weight, g/mol:	308.92259
ΔH_f, kcal/mol:	-22.41
Dipole, Da:	4.97
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)SC2=C(C=C(C=N2)Br)Cl)C(=O)O

DOS

IR

Vibrations