Geometry & MOs

Info

ID:	134669
PubChem CID:	51737434
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	477.299142
ΔH_f, kcal/mol:	-134.58
Dipole, Da:	4.42
IP(EA), eV:	-8.61(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=C(C=C1)OC)NC(=O)CN2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations