Geometry & MOs

Info

ID:

394462

PubChem CID:

135023026

Reduced:

SiS2C9H15 (1)

Stoich.:

AB2C9D15 (1)

Weight, g/mol:

393.212406

ΔHf, kcal/mol:

3.73

Dipole, Da:

1.84

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.812809

Charge, e:

0

Chem-info

IUPAC name:

[(2S,3aR,4S,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane

Drug info:

PubChemData

Smile

C[Si](C)(C)C#C[C-]1SCCCS1

DOS

IR

Vibrations