Geometry & MOs

Info

ID:	184784
PubChem CID:	77206874
Reduced:	NO10C29H45 (1)
Stoich.:	AB10C29D45 (1)
Weight, g/mol:	577.325082
ΔH_f, kcal/mol:	-480.23
Dipole, Da:	6.29
IP(EA), eV:	-9.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(C)OC(=O)CC(C)(C)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