Geometry & MOs

Info

ID:

296817

PubChem CID:

117594716

Reduced:

O9C51H64 (1)

Stoich.:

A9B51C64 (1)

Weight, g/mol:

1014.619906

ΔHf, kcal/mol:

-397.48

Dipole, Da:

7.23

IP(EA), eV:

 -9.04(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-dihydroxyheptadec-16-enyl acetate;2,4-dihydroxyheptadec-16-ynyl acetate;propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C.CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations