Geometry & MOs

Info

ID:	49638
PubChem CID:	11533428
Reduced:	NO8C27H35 (1)
Stoich.:	AB8C27D35 (1)
Weight, g/mol:	501.216475
ΔH_f, kcal/mol:	-322.57
Dipole, Da:	8.12
IP(EA), eV:	-8.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-N-pyridin-3-ylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@@]2([C@H](CCC2C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCCC5)/C4=C(C3=O)O)COC)C)O)C

DOS

IR

Vibrations