Geometry & MOs

Info

ID:	309325
PubChem CID:	126544987
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	505.178376
ΔH_f, kcal/mol:	-4.72
Dipole, Da:	3.55
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-1'-[[4-[(3R)-5-oxopyrrolidin-3-yl]isoquinolin-3-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one

Drug info:

PubChemData

Smile

C1C2(CN1)C3=CC=CC=C3N(C2=O)CC4=C(C5=CC=CC=C5C=N4)CCCCO

DOS

IR

Vibrations