Geometry & MOs

Info

ID:

386516

PubChem CID:

134982013

Reduced:

PSO2C23H25 (1)

Stoich.:

ABC2D23E25 (1)

Weight, g/mol:

540.342684

ΔHf, kcal/mol:

-40.97

Dipole, Da:

6.93

IP(EA), eV:

 -8.1(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(5Z)-5-[(3aS,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoate

Drug info:

PubChemData

Smile

CC[C@@]([C@H](C1=CC=CC=C1)O)(P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)SC

DOS

IR

Vibrations