Geometry & MOs

Info

ID:

407151

PubChem CID:

135079432

Reduced:

ClSi2O7C35H55 (1)

Stoich.:

AB2C7D35E55 (1)

Weight, g/mol:

720.364435

ΔHf, kcal/mol:

-381.24

Dipole, Da:

3.1

IP(EA), eV:

 -8.7(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,2'S,3'R,3aR,5'S)-3',5'-bis[[tert-butyl(dimethyl)silyl]oxy]-2-chloro-6,6,7-trimethoxy-2'-phenylmethoxy-3a-prop-2-enylspiro[2,4-dihydro-1H-indene-3,1'-cyclopentane]-5-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C2([C@@H]1OCC3=CC=CC=C3)[C@H](CC4=C(C(C(=O)C=C24)(OC)OC)OC)Cl)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations