Geometry & MOs

Info

ID:

381649

PubChem CID:

134972446

Reduced:

INSiO4C42H46 (1)

Stoich.:

ABCD4E42F46 (1)

Weight, g/mol:

187.084458

ΔHf, kcal/mol:

-27.13

Dipole, Da:

1.41

IP(EA), eV:

 -8.0(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,4S,6aR)-2,2-dimethyl-5-oxido-4,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)ON=C[C@@H]([C@@H]([C@H](COCC3=CC=CC=C3)I)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations