Geometry & MOs

Info

ID:	135004
PubChem CID:	51795986
Reduced:	ClNOC12H15 (2)
Stoich.:	ABCD12E15 (2)
Weight, g/mol:	448.168434
ΔH_f, kcal/mol:	-97.26
Dipole, Da:	4.52
IP(EA), eV:	-9.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations