Geometry & MOs

Info

ID:	33073
PubChem CID:	7850694
Reduced:	O2H6C7 (3)
Stoich.:	A2B6C7 (3)
Weight, g/mol:	423.171559
ΔH_f, kcal/mol:	-179.39
Dipole, Da:	3.61
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-1,1-dioxothiolan-3-yl]-(2-methylpropyl)amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

DOS

IR

Vibrations