Geometry & MOs

Info

ID:	221227
PubChem CID:	85261589
Reduced:	NO2Si2C32H57 (1)
Stoich.:	AB2C2D32E57 (1)
Weight, g/mol:	544.096377
ΔH_f, kcal/mol:	-246.97
Dipole, Da:	1.13
IP(EA), eV:	-8.7(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-cyanoethoxy(sulfanyl)phosphinothioyl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-5H-purin-9-yl]oxolan-3-yl] acetate

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

CC12CC(C3C(C1CCC2O[Si](C)(C)C(C)(C)C)CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C)CCN

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

CC12CC(C3C(C1CCC2O[Si](C)(C)C(C)(C)C)CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C)CCN

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):