Geometry & MOs

Info

ID:	184745
PubChem CID:	77202409
Reduced:	NO10C24H35 (1)
Stoich.:	AB10C24D35 (1)
Weight, g/mol:	549.330167
ΔH_f, kcal/mol:	-460.7
Dipole, Da:	3.8
IP(EA), eV:	-9.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-di(hexanoyloxy)phenyl]-4-methyl-5-(2-methylpentanoyloxy)pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(CC1=CC(=C(C=C1)OC(=O)OC(C)(C)C)OC(=O)OC(C)(C)C)(C(=O)O)N)OC(=O)C

DOS

IR

Vibrations