Geometry & MOs

Info

ID:

220205

PubChem CID:

85165361

Reduced:

NSi3O7C34H53 (1)

Stoich.:

AB3C7D34E53 (1)

Weight, g/mol:

672.350962

ΔHf, kcal/mol:

-438.97

Dipole, Da:

6.65

IP(EA), eV:

 -9.74(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,12-diacetyloxy-9,9-bis(acetyloxymethyl)-8a-hydroxy-6a,6b,12a-trimethyl-2-methylidene-3,4,5,6,6a,7,8,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCC(C(C1CC(C3(C2C(=O)C4=C(O3)C=C(OC4=O)C5=CC=NC=C5)C)O[Si](C)(C)C)(C)CO[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations