Geometry & MOs

Info

ID:	265381
PubChem CID:	103519071
Reduced:	BrSO4N6H7C9 (1)
Stoich.:	ABC4D6E7F9 (1)
Weight, g/mol:	387.89202
ΔH_f, kcal/mol:	12.27
Dipole, Da:	6.18
IP(EA), eV:	-9.61(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-5-nitropyridin-4-yl)sulfanyl-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

COC(=O)CN1C(=NN=N1)SC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations