Geometry & MOs

Info

ID:	45909
PubChem CID:	10518973
Reduced:	ClNOS2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	310.037191
ΔH_f, kcal/mol:	-6.82
Dipole, Da:	4.17
IP(EA), eV:	-8.53(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydrazinyl-6-oxopyridazin-1-yl)sulfonylbenzoic acid

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)SC(C(=O)N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations