Geometry & MOs

Info

ID:	80417
PubChem CID:	49834349
Reduced:	ClSN3O3H20C24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	458.117939
ΔH_f, kcal/mol:	-22.02
Dipole, Da:	4.25
IP(EA), eV:	-9.2(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-(4,4-dimethyl-1-oxo-2,3-dihydroisoquinolin-7-yl)-1-methylpyrazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCN1CC2=C(C1=O)C=CC(=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations