Geometry & MOs

Info

ID:	184802
PubChem CID:	77210092
Reduced:	NO11C25H37 (1)
Stoich.:	AB11C25D37 (1)
Weight, g/mol:	507.150738
ΔH_f, kcal/mol:	-479.49
Dipole, Da:	3.14
IP(EA), eV:	-9.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-5-ethoxycarbonyloxy-4-methylpentanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCCCOC(=O)OC1=C(C=C(C=C1)CC(C(=O)OC(C)C(C)OC(=O)OC)N)OC(=O)OCCCC

DOS

IR

Vibrations