Geometry & MOs

Info

ID:	80274
PubChem CID:	49833805
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	509.117605
ΔH_f, kcal/mol:	1.65
Dipole, Da:	5.98
IP(EA), eV:	-9.18(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-3-cyano-N-[2-(2-methoxyacetyl)-3,4-dihydro-1H-isoquinolin-6-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC4=C(CN(CC4)C(=O)CC#N)C=C3

DOS

IR

Vibrations