Geometry & MOs

Info

ID:

191357

PubChem CID:

78136941

Reduced:

SN3O10C35H41 (2)

Stoich.:

AB3C10D35E41 (2)

Weight, g/mol:

322.118967

ΔHf, kcal/mol:

-775.59

Dipole, Da:

10.99

IP(EA), eV:

 -9.15(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-propa-1,2-dienyloxolan-3-ol

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O)O)(C(=O)O)OCCCSCCNC(=O)C4=CC=C(C5=CC=CC=C54)C(=O)NCCSCCCOC6(CC(C(C(O6)C(C(CNC(=O)C7=CC=C(C=C7)C8=CC=CC=C8)O)O)NC(=O)C)O)C(=O)O)O

DOS

IR

Vibrations