Geometry & MOs

Info

ID:	184751
PubChem CID:	77203461
Reduced:	NO10C32H49 (1)
Stoich.:	AB10C32D49 (1)
Weight, g/mol:	523.278132
ΔH_f, kcal/mol:	-471.44
Dipole, Da:	6.07
IP(EA), eV:	-9.63(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[[3,4-bis(4-methylpentanoyloxy)phenyl]methyl]-4-ethoxycarbonyloxypentanoic acid

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)OC1=C(C=C(C=C1)C(C(C)C(C)OC(=O)C2CCCCC2)C(C(=O)O)N)OC(=O)OCCC(C)C

DOS

IR

Vibrations