Geometry & MOs

Info

ID:	391605
PubChem CID:	135007037
Reduced:	NO2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	271.178358
ΔH_f, kcal/mol:	30.02
Dipole, Da:	1.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.034143
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,2S)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoate

Drug info:

PubChemData

Smile

C[N+](=C(C1=CC=C(C=C1)OC)C2=C([C@H]3C=C[C@@H]2O3)C4CC4)C

DOS

IR

Vibrations