Geometry & MOs

Info

ID:	184771
PubChem CID:	77205985
Reduced:	NO8C30H47 (1)
Stoich.:	AB8C30D47 (1)
Weight, g/mol:	553.288697
ΔH_f, kcal/mol:	-406.1
Dipole, Da:	9.64
IP(EA), eV:	-9.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[[3,4-bis(2,2-dimethylpropoxycarbonyloxy)phenyl]methyl]-4-(2-methylpropanoyloxy)pentanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1=C(C=C(C=C1)CC(CC(C)OC(=O)C(C)C(C)C)(C(=O)O)N)OC(=O)CCCCC

DOS

IR

Vibrations