Geometry & MOs

Info

ID:	308344
PubChem CID:	125326253
Reduced:	PSN4O7C21H33 (1)
Stoich.:	ABC4D7E21F33 (1)
Weight, g/mol:	516.180758
ΔH_f, kcal/mol:	-321.37
Dipole, Da:	7.24
IP(EA), eV:	-8.7(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,4S,6S,6aR)-2,2-dimethyl-4-(6-sulfanylidene-8H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ditert-butyl phosphate

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

CC1(O[C@@H]2[C@@H](O[C@@H]([C@@H]2O1)N3CN=C4C3=NC=NC4=S)COP(=O)(OC(C)(C)C)OC(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

CC1(O[C@@H]2[C@@H](O[C@@H]([C@@H]2O1)N3CN=C4C3=NC=NC4=S)COP(=O)(OC(C)(C)C)OC(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):