Geometry & MOs

Info

ID:	135003
PubChem CID:	51795985
Reduced:	ClNOC14H19 (2)
Stoich.:	ABCD14E19 (2)
Weight, g/mol:	448.168434
ΔH_f, kcal/mol:	-120.62
Dipole, Da:	3.44
IP(EA), eV:	-9.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-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)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations