Geometry & MOs

Info

ID:	134933
PubChem CID:	51785995
Reduced:	ClN2O3C27H37 (1)
Stoich.:	AB2C3D27E37 (1)
Weight, g/mol:	436.285656
ΔH_f, kcal/mol:	-129.19
Dipole, Da:	1.93
IP(EA), eV:	-9.04(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-1-(tert-butylamino)-1-oxoheptan-2-yl]-N-(2-chlorophenyl)-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)N(C1=CC=CC=C1Cl)[C@@H](C2=CC(=CC=C2)OC)C(=O)NCCCC

DOS

IR

Vibrations