Geometry & MOs

Info

ID:	50621
PubChem CID:	12013181
Reduced:	Si2O3C20H38 (1)
Stoich.:	A2B3C20D38 (1)
Weight, g/mol:	762.456246
ΔH_f, kcal/mol:	-254.57
Dipole, Da:	3.56
IP(EA), eV:	-8.99(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R,6aR)-3-[(3aR,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxo-3a,4,5,6-tetrahydro-3H-pentalen-1-yl]-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2CC(=O)C=C2[C@H]1O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2CC(=O)C=C2[C@H]1O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):