Geometry & MOs

Info

ID:

214901

PubChem CID:

85083819

Reduced:

O7C15H26 (2)

Stoich.:

A7B15C26 (2)

Weight, g/mol:

636.460528

ΔHf, kcal/mol:

-693.74

Dipole, Da:

6.03

IP(EA), eV:

 -10.3(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[tert-butyl(dimethyl)silyl]oxy-1-[7-[tert-butyl(dimethyl)silyl]oxy-3-(2-hydroxyethyl)-1,2,3,3a,5a,6,7,8,8a,8b-decahydro-as-indacen-2-yl]-7-hydroxy-2-methylnonan-1-one

Drug info:

PubChemData

Smile

CCC(C)CCCC(=O)OC1C(C(OC(C1OC(=O)CCCC(C)CC)OC2(C(C(C(O2)COC(=O)C)O)O)CO)CO)O

DOS

IR

Vibrations