Geometry & MOs

Info

ID:	33067
PubChem CID:	7850680
Reduced:	NO4H25C26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-91.24
Dipole, Da:	5.23
IP(EA), eV:	-8.77(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations