Geometry & MOs

Info

ID:	324960
PubChem CID:	126678945
Reduced:	BrClSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	323.078517
ΔH_f, kcal/mol:	-44.5
Dipole, Da:	5.15
IP(EA), eV:	-9.59(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[(3,6-diamino-2-hydrazinylpyridin-4-yl)oxymethyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)Cl)CBr

DOS

IR

Vibrations