Geometry & MOs

Info

ID:	47208
PubChem CID:	10530638
Reduced:	Si2O7C27H54 (1)
Stoich.:	A2B7C27D54 (1)
Weight, g/mol:	546.17415
ΔH_f, kcal/mol:	-489.22
Dipole, Da:	3.74
IP(EA), eV:	-8.67(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(6-chloropurin-9-yl)-1,3-dithiolan-4-yl]methoxy]-dimethylsilane

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(=O)OC[C@]12[C@H](C[C@@H]([C@@]([C@@H]1COC(O2)(C)C)(C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O

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(=O)OC[C@]12[C@H](C[C@@H]([C@@]([C@@H]1COC(O2)(C)C)(C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):