Geometry & MOs

Info

ID:	171676
PubChem CID:	75412924
Reduced:	SO2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	363.008055
ΔH_f, kcal/mol:	-65.74
Dipole, Da:	2.26
IP(EA), eV:	-8.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(8-nitroisoquinolin-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)N)C(=O)C1=C(N=CC=C1)SC

DOS

IR

Vibrations