Geometry & MOs

Info

ID:	16497
PubChem CID:	471246
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	-35.77
Dipole, Da:	6.53
IP(EA), eV:	-9.52(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4R,5S,6R)-4,7-dibenzyl-5-hydroxy-2-oxo-1,3-diazabicyclo[4.1.0]heptan-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]3C(N3C(=O)N2CC4=CC(=CC=C4)C(=O)N)CC5=CC=CC=C5)O

DOS

IR

Vibrations