Geometry & MOs

Info

ID:	184795
PubChem CID:	77208072
Reduced:	NO8C32H43 (1)
Stoich.:	AB8C32D43 (1)
Weight, g/mol:	509.262482
ΔH_f, kcal/mol:	-342.52
Dipole, Da:	5.6
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-di(butanoyloxy)phenyl]-5-(3-methylbutan-2-yloxycarbonyloxy)hexanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OC1=C(C=C(C=C1)CC(C(=O)OC)NCC(C)OC(=O)C2=CC=CC=C2)OC(=O)C(C)(C)CC

DOS

IR

Vibrations