Geometry & MOs

Info

ID:	143418
PubChem CID:	53206520
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	464.184841
ΔH_f, kcal/mol:	28.76
Dipole, Da:	3.57
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC(=CC=C4)OC

DOS

IR

Vibrations