Geometry & MOs

Info

ID:

222932

PubChem CID:

85333232

Reduced:

NSO5C38H61 (1)

Stoich.:

ABC5D38E61 (1)

Weight, g/mol:

644.334918

ΔHf, kcal/mol:

-297.84

Dipole, Da:

3.26

IP(EA), eV:

 -8.87(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,6-dimethoxy-4-(6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl)phenyl] octadeca-9,12,15-trienoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)OC(=O)C(C)(CO)CO)C)(CSC5=CC=CC=N5)O)C

DOS

IR

Vibrations