Geometry & MOs

Info

ID:	184796
PubChem CID:	77208287
Reduced:	NO9C26H39 (1)
Stoich.:	AB9C26D39 (1)
Weight, g/mol:	549.330167
ΔH_f, kcal/mol:	-421.27
Dipole, Da:	6.94
IP(EA), eV:	-9.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(3,3-dimethylbutanoyloxy)phenyl]-4-methyl-5-(3-methylbutanoyloxy)hexanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations