Geometry & MOs

Info

ID:	80486
PubChem CID:	49834701
Reduced:	SO2N7H25C32 (1)
Stoich.:	AB2C7D25E32 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	115.42
Dipole, Da:	9.07
IP(EA), eV:	-8.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(2-ethyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-1-methylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4)C5=CC6=C(C=C5)N=C(N6)CC7=CC=CC=C7

DOS

IR

Vibrations