Geometry & MOs

Info

ID:

430036

PubChem CID:

135170093

Reduced:

FSN2O2C26H27 (1)

Stoich.:

ABC2D2E26F27 (1)

Weight, g/mol:

920.768035

ΔHf, kcal/mol:

-57.62

Dipole, Da:

3.11

IP(EA), eV:

 -8.57(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-3-(2-ethoxypropan-2-yl)-4-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-6-methoxy-5-[(E)-octadec-9-enoyl]oxyoxan-2-yl]methyl (E)-octadec-9-enoate

Drug info:

PubChemData

Smile

CCSC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCOCC3C4=CC=CC=C4)F

DOS

IR

Vibrations