Geometry & MOs

Info

ID:

45217

PubChem CID:

10509626

Reduced:

K4S4O16H20C21 (1)

Stoich.:

A4B4C16D20E21 (1)

Weight, g/mol:

812.32113

ΔHf, kcal/mol:

-926.21

Dipole, Da:

25.9

IP(EA), eV:

 -7.61(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,4R,6R,6aR)-4-[9-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-8-bromopurin-6-yl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane

Drug info:

PubChemData

Smile

CC1(CC2(CC(C3=CC(=C(C=C32)OS(=O)(=O)[O-])OS(=O)(=O)[O-])(C)C)C4=CC(=C(C=C41)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C.[K+].[K+].[K+].[K+]

DOS

IR

Vibrations