Geometry & MOs

Info

ID:

215282

PubChem CID:

85084473

Reduced:

NO12C43H69 (1)

Stoich.:

AB12C43D69 (1)

Weight, g/mol:

792.414351

ΔHf, kcal/mol:

-511.0

Dipole, Da:

6.2

IP(EA), eV:

 -9.13(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3,5-diacetyloxy-4-(3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-2-methyl-6-octoxyoxan-3-yl] hexanoate

Drug info:

PubChemData

Smile

CCC1C=C(CC(CC(C2C(CC(C(=O)C(O2)(C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C

DOS

IR

Vibrations