Geometry & MOs

Info

ID:	134784
PubChem CID:	51755140
Reduced:	N2O3C28H46 (1)
Stoich.:	A2B3C28D46 (1)
Weight, g/mol:	448.402879
ΔH_f, kcal/mol:	-160.51
Dipole, Da:	1.44
IP(EA), eV:	-9.31(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,5S)-N-[(2R)-1-(tert-butylamino)-3-ethyl-1-oxopentan-2-yl]-N-hexyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](/C=C\C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)[C@H](C1=CC=CC=C1)OC

DOS

IR

Vibrations