Geometry & MOs

Info

ID:	134935
PubChem CID:	51786210
Reduced:	ClN2O2C25H41 (1)
Stoich.:	AB2C2D25E41 (1)
Weight, g/mol:	476.199734
ΔH_f, kcal/mol:	-155.7
Dipole, Da:	2.5
IP(EA), eV:	-9.38(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-2-(butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(2-chlorophenyl)-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCCC[C@H](C(=O)NC(C)(C)C)N(C1=CC=CC=C1Cl)C(=O)[C@H](CC)CCCC

DOS

IR

Vibrations