Geometry & MOs

Info

ID:

398879

PubChem CID:

135035991

Reduced:

OSN3F6H29C30 (1)

Stoich.:

ABC3D6E29F30 (1)

Weight, g/mol:

789.173584

ΔHf, kcal/mol:

-271.16

Dipole, Da:

8.66

IP(EA), eV:

 -8.71(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,5R)-5-(6-amino-2,8-ditritiopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CC=C2[C@@H](C3CC4CCN3CC4C=C)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C=C1

DOS

IR

Vibrations