Geometry & MOs

Info

ID:

181369

PubChem CID:

76736715

Reduced:

SO5C34H54 (1)

Stoich.:

AB5C34D54 (1)

Weight, g/mol:

746.27132

ΔHf, kcal/mol:

-249.88

Dipole, Da:

5.17

IP(EA), eV:

 -9.59(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(benzenesulfonylmethyl)-4-methyl-5-(2-methylbutyl)oxolan-2-yl]-5-[2-(3-hydroxypropyl)-3a-(iodomethyl)-2,3,5,6,7,7a-hexahydrofuro[3,2-b]pyran-5-yl]-4-methyl-3-methylidenepentan-2-ol

Drug info:

PubChemData

Smile

CCC(C)CC1C(C(C(O1)CCC(=C)C(C)CC2CCC3C(O2)(CC(O3)C)CC)CS(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations