Geometry & MOs

Info

ID:

7664

PubChem CID:

73680

Reduced:

SP2N7O14C19H25 (1)

Stoich.:

AB2C7D14E19F25 (1)

Weight, g/mol:

669.065544

ΔHf, kcal/mol:

-640.99

Dipole, Da:

2.91

IP(EA), eV:

 -9.39(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N

DOS

IR

Vibrations