Geometry & MOs

Info

ID:	66468
PubChem CID:	46504632
Reduced:	N3O7H25C27 (1)
Stoich.:	A3B7C25D27 (1)
Weight, g/mol:	507.119713
ΔH_f, kcal/mol:	-168.86
Dipole, Da:	7.87
IP(EA), eV:	-7.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations