Geometry & MOs

Info

ID:

57354

PubChem CID:

22395726

Reduced:

O2C16H27 (1)

Stoich.:

A2B16C27 (1)

Weight, g/mol:

314.227952

ΔHf, kcal/mol:

-85.43

Dipole, Da:

0.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754490

Charge, e:

 0

Chem-info

IUPAC name:

methyl (E)-11-hexylsulfanylundec-9-enoate

Drug info:

PubChemData

Smile

CCC/C=C/C/C=C/CCCCCCCC(=O)[O-]

DOS

IR

Vibrations