Geometry & MOs

Info

ID:

380656

PubChem CID:

134971175

Reduced:

NSi2O10C56H75 (1)

Stoich.:

AB2C10D56E75 (1)

Weight, g/mol:

372.099774

ΔHf, kcal/mol:

-435.94

Dipole, Da:

5.47

IP(EA), eV:

 -8.95(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,10-dihydroxy-14,21-dimethoxypentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one

Drug info:

PubChemData

Smile

CCCCCCC1(OCCO1)CCC/C=C/[C@@H]([C@@H]2[C@@H]([C@](C(=O)O2)(CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)NC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OCOCC[Si](C)(C)C

DOS

IR

Vibrations