Geometry & MOs

Info

ID:

178820

PubChem CID:

76385842

Reduced:

FON2C22H29 (1)

Stoich.:

ABC2D22E29 (1)

Weight, g/mol:

844.207078

ΔHf, kcal/mol:

-90.49

Dipole, Da:

4.76

IP(EA), eV:

 -8.76(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-acetyloxy-6-[4,5-diacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]-6-phenylsulfanyloxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3CC(CCC3N4C5CCCCC5CC4C2=O)F

DOS

IR

Vibrations