Geometry & MOs

Info

ID:	134936
PubChem CID:	51786252
Reduced:	ClNOC13H17 (2)
Stoich.:	ABCD13E17 (2)
Weight, g/mol:	490.238706
ΔH_f, kcal/mol:	-105.83
Dipole, Da:	3.49
IP(EA), eV:	-9.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(2-chlorophenyl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

CCCC[C@H](CC)C(=O)N(C1=CC=CC=C1Cl)[C@@H](C2=CC=C(C=C2)Cl)C(=O)NCCCC

DOS

IR

Vibrations