Geometry & MOs

Info

ID:	135268
PubChem CID:	51844594
Reduced:	N3O4C32H43 (1)
Stoich.:	A3B4C32D43 (1)
Weight, g/mol:	446.293328
ΔH_f, kcal/mol:	-167.34
Dipole, Da:	4.08
IP(EA), eV:	-8.97(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3S)-1-(cyclohexylamino)-1-oxo-3-phenylbutan-2-yl]-N-phenylcyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C(=O)NC1CCCCC1)N(C2=CC=CC=C2)C(=O)[C@H]3CCCN3C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations