Geometry & MOs

Info

ID:	33070
PubChem CID:	7850689
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-120.72
Dipole, Da:	5.42
IP(EA), eV:	-9.13(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (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)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations