Geometry & MOs

Info

ID:

329363

PubChem CID:

126735504

Reduced:

SN2C15H18 (1)

Stoich.:

AB2C15D18 (1)

Weight, g/mol:

1269.397658

ΔHf, kcal/mol:

175.65

Dipole, Da:

3.64

IP(EA), eV:

-8.45(-0.47)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[6,8-dihydroxy-1-[6-[4-hydroxy-5-[2-(2-hydroxy-5-methylsulfonylphenyl)-1,3-dioxan-4-yl]pentyl]-2-(2-hydroxy-5-methylsulfonylphenyl)-1,3-dioxan-4-yl]-11-[2-(2-hydroxy-5-methylsulfonylphenyl)-6-methyl-1,3-dioxan-4-yl]undecan-4-yl] N-(4-methylphenyl)sulfonylcarbamate

Drug info:

PubChemData

Smile

C/C/1=C/C(=C\CC#CC1C(=S)C)/C2=CCNN2C

DOS

IR

Vibrations