Geometry & MOs

Info

ID:	230052
PubChem CID:	87569955
Reduced:	CoNaSO3N8H18C32 (1)
Stoich.:	ABCD3E8F18G32 (1)
Weight, g/mol:	414.055339
ΔH_f, kcal/mol:	25.22
Dipole, Da:	25.75
IP(EA), eV:	-10.66(-4.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(1-methyl-3-oxo-2H-indazol-6-yl)pyridin-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC4=C5C(=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3)C=CC=C5S(=O)(=O)O.[Na].[Co]

DOS

IR

Vibrations