Geometry & MOs

Info

ID:	315948
PubChem CID:	126629477
Reduced:	N2O6C29H38 (1)
Stoich.:	A2B6C29D38 (1)
Weight, g/mol:	468.262422
ΔH_f, kcal/mol:	-225.57
Dipole, Da:	5.31
IP(EA), eV:	-9.26(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7R,8R,9S)-7-benzyl-8-butyl-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(=C3OC(=O)C)OC)C

DOS

IR

Vibrations