Geometry & MOs

Info

ID:	134869
PubChem CID:	51771410
Reduced:	NOC12H18 (2)
Stoich.:	ABC12D18 (2)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-98.54
Dipole, Da:	5.12
IP(EA), eV:	-9.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C(=O)NC1CCCCC1)N(C)C(=O)[C@H](CC)C2=CC=CC=C2

DOS

IR

Vibrations