Geometry & MOs

Info

ID:	339531
PubChem CID:	127261521
Reduced:	NO6C13H15 (1)
Stoich.:	AB6C13D15 (1)
Weight, g/mol:	381.105981
ΔH_f, kcal/mol:	-206.5
Dipole, Da:	4.34
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]prop-2-enoyl]amino]acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NCC(=O)O

DOS

IR

Vibrations