Geometry & MOs

Info

ID:	66469
PubChem CID:	46504633
Reduced:	ClN3O6H22C26 (1)
Stoich.:	AB3C6D22E26 (1)
Weight, g/mol:	533.179815
ΔH_f, kcal/mol:	-142.44
Dipole, Da:	9.45
IP(EA), eV:	-8.53(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethoxybenzoyl)amino]-1-oxo-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)NC(=O)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations