Geometry & MOs

Info

ID:

181891

PubChem CID:

76810719

Reduced:

FPSN6O7C18H28 (1)

Stoich.:

ABCD6E7F18G28 (1)

Weight, g/mol:

652.171649

ΔHf, kcal/mol:

-352.27

Dipole, Da:

3.85

IP(EA), eV:

 -8.76(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[[4-(2-amino-6-oxo-5H-purin-9-yl)-3a-methyl-2-oxo-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methoxy-(benzylamino)phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate

Drug info:

PubChemData

Smile

CC(=O)SCCOP(=O)(N(C)C)OCC1(C(C(C(O1)N2C=NC3=C(N=CN=C32)NC)O)O)CF

DOS

IR

Vibrations