Geometry & MOs

Info

ID:	135022
PubChem CID:	51799747
Reduced:	NO2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	466.283158
ΔH_f, kcal/mol:	-137.88
Dipole, Da:	7.56
IP(EA), eV:	-9.37(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-N-cyclohexyl-2-[[(2S)-2-methoxy-2-phenylacetyl]-[(5-methylfuran-2-yl)methyl]amino]hept-3-enamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C(=O)NC(C)(C)C)N(CC1=CC=C(O1)C)C(=O)[C@H](C2=CC=CC=C2)OC

DOS

IR

Vibrations