Geometry & MOs

Info

ID:	134959
PubChem CID:	51789828
Reduced:	ClNOC14H15 (2)
Stoich.:	ABCD14E15 (2)
Weight, g/mol:	496.168434
ΔH_f, kcal/mol:	-58.72
Dipole, Da:	3.9
IP(EA), eV:	-9.5(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=C(C=C1)Cl)N(C2=CC=CC=C2Cl)C(=O)C[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations