Geometry & MOs

Info

ID:

219311

PubChem CID:

85098693

Reduced:

N2F3O8H42C43 (1)

Stoich.:

A2B3C8D42E43 (1)

Weight, g/mol:

772.606449

ΔHf, kcal/mol:

-329.0

Dipole, Da:

3.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.748546

Charge, e:

 0

Chem-info

IUPAC name:

[2-hexadecanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] nonadecanoate

Drug info:

PubChemData

Smile

CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=C(C(F)(F)F)[N+]#N)O)OC(=O)CCCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

DOS

IR

Vibrations