Geometry & MOs

Info

ID:	184797
PubChem CID:	77208387
Reduced:	NO8C30H47 (1)
Stoich.:	AB8C30D47 (1)
Weight, g/mol:	535.314517
ΔH_f, kcal/mol:	-405.33
Dipole, Da:	5.17
IP(EA), eV:	-9.27(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-bis(3,3-dimethylbutanoyloxy)phenyl]-2-[2-(3-methylbutanoyloxy)propylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(=O)OC(C)C(C)C(C1=CC(=C(C=C1)OC(=O)CC(C)(C)C)OC(=O)CC(C)(C)C)C(C(=O)O)N

DOS

IR

Vibrations