Geometry & MOs

Info

ID:	184785
PubChem CID:	77206875
Reduced:	NO9C31H47 (1)
Stoich.:	AB9C31D47 (1)
Weight, g/mol:	543.246832
ΔH_f, kcal/mol:	-437.13
Dipole, Da:	9.73
IP(EA), eV:	-9.22(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]methyl]-4-phenoxycarbonyloxypentanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OC1=C(C=C(C=C1)CC(C(=O)O)NCC(C)OC(=O)OC2CCCCC2)OC(=O)C(C)(C)CC

DOS

IR

Vibrations