Geometry & MOs

Info

ID:

386519

PubChem CID:

134982020

Reduced:

NSi2O3C38H63 (1)

Stoich.:

AB2C3D38E63 (1)

Weight, g/mol:

483.24433

ΔHf, kcal/mol:

-247.06

Dipole, Da:

0.38

IP(EA), eV:

 -8.85(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[7-(benzenesulfonyl)-6-hydroxy-5,5-dimethylheptyl]-4-methoxy-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

Drug info:

PubChemData

Smile

CC[C@H](C)CCCC/C=C\1/C[C@H]([C@@H](OC1)C2=C(C(=CN=C2O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations