Geometry & MOs

Info

ID:	184744
PubChem CID:	77202408
Reduced:	NO11C30H47 (1)
Stoich.:	AB11C30D47 (1)
Weight, g/mol:	497.226096
ΔH_f, kcal/mol:	-513.31
Dipole, Da:	5.79
IP(EA), eV:	-9.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyloxy-2-amino-2-[[3,4-bis[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]methyl]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations