Geometry & MOs

Info

ID:	80361
PubChem CID:	49834167
Reduced:	SO2N8H30C33 (1)
Stoich.:	AB2C8D30E33 (1)
Weight, g/mol:	430.086639
ΔH_f, kcal/mol:	120.28
Dipole, Da:	6.83
IP(EA), eV:	-7.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC6=C(C=C5)N=C(N6)CC7=CC=CC=C7OC)OC

DOS

IR

Vibrations