Geometry & MOs

Info

ID:	142941
PubChem CID:	53120211
Reduced:	SN3O4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	-67.02
Dipole, Da:	5.29
IP(EA), eV:	-8.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)NC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations