Geometry & MOs

Info

ID:	135060
PubChem CID:	51806134
Reduced:	N2O2C25H40 (1)
Stoich.:	A2B2C25D40 (1)
Weight, g/mol:	400.308979
ΔH_f, kcal/mol:	-137.51
Dipole, Da:	3.02
IP(EA), eV:	-9.28(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]-2-phenyl-N-propylbutanamide

Drug info:

PubChemData

Smile

CCCN([C@@H](C1CCCCC1)C(=O)NC(C)(C)C)C(=O)[C@@H](CC)C2=CC=CC=C2

DOS

IR

Vibrations