Geometry & MOs

Info

ID:

167436

PubChem CID:

74828414

Reduced:

ClFSO3N5C27H31 (1)

Stoich.:

ABCD3E5F27G31 (1)

Weight, g/mol:

740.051978

ΔHf, kcal/mol:

-109.84

Dipole, Da:

5.47

IP(EA), eV:

 -8.84(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyfuran-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2(O1)C)N3C=NC4=C(N=C(N=C43)Cl)NC5CC6CCC5C6)CSC7=CC=CC=C7F)C

DOS

IR

Vibrations