Geometry & MOs

Info

ID:

188965

PubChem CID:

77795200

Reduced:

O5C26H44 (1)

Stoich.:

A5B26C44 (1)

Weight, g/mol:

633.330479

ΔHf, kcal/mol:

-266.23

Dipole, Da:

9.87

IP(EA), eV:

 -9.82(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[2-[2-[[3-(2-amino-3-methylbutanoyl)oxy-2-methylpropanoyl]oxymethoxycarbonyl]-4-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-oxo-(4-phenylbutyl)phosphanium

Drug info:

PubChemData

Smile

CCCCCCC=C(C1C(CC(C1CC=CCCCC(=O)O)O)OC)C(=O)C(C)(C)C

DOS

IR

Vibrations