Geometry & MOs

Info

ID:	134807
PubChem CID:	51760612
Reduced:	ClNO2C14H19 (2)
Stoich.:	ABC2D14E19 (2)
Weight, g/mol:	470.270006
ΔH_f, kcal/mol:	-174.42
Dipole, Da:	1.32
IP(EA), eV:	-8.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(1R)-2-(butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-hexyl-3-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC(=C(C=C1)OC)OC)C(=O)NCCCC)C(=O)CC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations