Geometry & MOs

Info

ID:

44432

PubChem CID:

10503562

Reduced:

SiO5C25H38 (1)

Stoich.:

AB5C25D38 (1)

Weight, g/mol:

446.2273

ΔHf, kcal/mol:

-226.0

Dipole, Da:

3.63

IP(EA), eV:

 -8.76(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1R,2R,4R)-7,7-dimethyl-2-[(Z)-3-methyl-1-nitrobut-1-enyl]sulfanyl-1-bicyclo[2.2.1]heptanyl]-N,N-di(propan-2-yl)methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1C#CC2([C@H](CCCO2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations