Geometry & MOs

Info

ID:	184789
PubChem CID:	77207582
Reduced:	NO9C30H47 (1)
Stoich.:	AB9C30D47 (1)
Weight, g/mol:	565.325082
ΔH_f, kcal/mol:	-436.66
Dipole, Da:	3.67
IP(EA), eV:	-8.77(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(2,3-dimethylbutanoyloxy)phenyl]-5-(2,2-dimethylpropoxycarbonyloxy)hexanoic acid

Drug info:

PubChemData

Smile

CCCC(C)OC(=O)OCCNC(CC1=CC(=C(C=C1)OC(=O)CC(C)(C)C)OC(=O)CC(C)(C)C)C(=O)OC

DOS

IR

Vibrations