Geometry & MOs

Info

ID:	64615
PubChem CID:	29203300
Reduced:	NO5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	-163.8
Dipole, Da:	7.07
IP(EA), eV:	-8.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=C/C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2)OCC

DOS

IR

Vibrations