Geometry & MOs

Info

ID:

439955

PubChem CID:

135229826

Reduced:

NOH45C63 (1)

Stoich.:

ABC45D63 (1)

Weight, g/mol:

1062.846285

ΔHf, kcal/mol:

186.98

Dipole, Da:

2.33

IP(EA), eV:

 -7.95(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4S,5R)-6-(4-methoxyphenoxy)-4,5-bis[[(Z)-octadec-9-enoyl]oxy]oxan-2-yl]methyl (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC5=C(C=C4)C6=CC=CC=C6C5(C)C)C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C

DOS

IR

Vibrations