Geometry & MOs

Info

ID:	80363
PubChem CID:	49834170
Reduced:	ClSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	444.102289
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	2.7
IP(EA), eV:	-9.27(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations