Geometry & MOs

Info

ID:	134967
PubChem CID:	51790578
Reduced:	ClN2O2C24H35 (1)
Stoich.:	AB2C2D24E35 (1)
Weight, g/mol:	392.223056
ΔH_f, kcal/mol:	-128.39
Dipole, Da:	1.81
IP(EA), eV:	-9.4(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-(2-chlorophenyl)butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N(C1=CC=CC=C1Cl)[C@@H](C2CCCCC2)C(=O)NC3CCCCC3

DOS

IR

Vibrations