Geometry & MOs

Info

ID:

336817

PubChem CID:

127255824

Reduced:

PN7O7C48H54 (1)

Stoich.:

AB7C7D48E54 (1)

Weight, g/mol:

387.134282

ΔHf, kcal/mol:

-156.39

Dipole, Da:

6.47

IP(EA), eV:

 -8.65(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OP(N(C(C)C)C(C)C)OCCC#N

DOS

IR

Vibrations