Geometry & MOs

Info

ID:	315949
PubChem CID:	126629478
Reduced:	N2O5C27H36 (1)
Stoich.:	A2B5C27D36 (1)
Weight, g/mol:	502.246772
ΔH_f, kcal/mol:	-192.62
Dipole, Da:	2.96
IP(EA), eV:	-9.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7R,8R,9S)-7,8-dibenzyl-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@@H](OC(=O)C(CCC[C@@H]1CC2=CC=CC=C2)NC(=O)C3=NC=CC(=C3O)OC)C

DOS

IR

Vibrations