Geometry & MOs

Info

ID:

222917

PubChem CID:

85333141

Reduced:

SF2N3O6C31H45 (1)

Stoich.:

AB2C3D6E31F45 (1)

Weight, g/mol:

626.203312

ΔHf, kcal/mol:

-363.71

Dipole, Da:

3.98

IP(EA), eV:

 -8.98(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[2-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethyl] 4-phenylbenzenecarbothioate

Drug info:

PubChemData

Smile

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC=CC(=C2)CC)O)NC(=O)OC

DOS

IR

Vibrations