Geometry & MOs

Info

ID:

47370

PubChem CID:

10531961

Reduced:

O7C37H66 (1)

Stoich.:

A7B37C66 (1)

Weight, g/mol:

622.387363

ΔHf, kcal/mol:

-418.32

Dipole, Da:

8.17

IP(EA), eV:

 -9.73(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[(1R,2R,4R)-4-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(2R)-oxiran-2-yl]pent-1-enyl]-2-methoxycyclohexyl]oxy-diphenylsilane

Drug info:

PubChemData

Smile

CCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)[C@@H](CC[C@@H]([C@@H]2CC[C@@H](O2)CCCCCCCCCC3=CC(OC3=O)C)O)O)O

DOS

IR

Vibrations