Geometry & MOs

Info

ID:	184799
PubChem CID:	77209972
Reduced:	NO8C31H49 (1)
Stoich.:	AB8C31D49 (1)
Weight, g/mol:	579.340732
ΔH_f, kcal/mol:	-411.15
Dipole, Da:	6.12
IP(EA), eV:	-9.13(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-bis(3,3-dimethylbutanoyloxy)phenyl]-2-(butan-2-ylamino)-2-(2-methylbutan-2-yloxycarbonyloxy)propanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OC1=C(C=C(C=C1)CC(C(=O)OC(C)C(C)OC(=O)CC(C)(C)C)N)OC(=O)C(C)(C)CC

DOS

IR

Vibrations