Geometry & MOs

Info

ID:	134838
PubChem CID:	51766303
Reduced:	N2O3C28H42 (1)
Stoich.:	A2B3C28D42 (1)
Weight, g/mol:	372.277678
ΔH_f, kcal/mol:	-141.55
Dipole, Da:	2.94
IP(EA), eV:	-9.23(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2R)-N-tert-butyl-2-[hexyl-(2-phenylacetyl)amino]pent-3-enamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=CO1)C(=O)NC(C)(C)CC(C)(C)C)C(=O)CC2=CC=CC=C2

DOS

IR

Vibrations