Geometry & MOs

Info

ID:	184768
PubChem CID:	77205594
Reduced:	NO11C28H43 (1)
Stoich.:	AB11C28D43 (1)
Weight, g/mol:	481.231182
ΔH_f, kcal/mol:	-510.32
Dipole, Da:	7.03
IP(EA), eV:	-9.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-dimethylpropoxycarbonyloxy)propylamino]-3-[3,4-di(propanoyloxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations