Geometry & MOs

Info

ID:	184770
PubChem CID:	77205853
Reduced:	NO10C31H49 (1)
Stoich.:	AB10C31D49 (1)
Weight, g/mol:	549.330167
ΔH_f, kcal/mol:	-468.83
Dipole, Da:	3.96
IP(EA), eV:	-9.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC(=O)OC1=C(C=C(C=C1)C(C(C)C(C)OC(=O)CCC(C)C)C(C(=O)O)N)OC(=O)OCCCCC

DOS

IR

Vibrations