Geometry & MOs

Info

ID:

15626

PubChem CID:

446187

Reduced:

N6O6C29H30 (1)

Stoich.:

A6B6C29D30 (1)

Weight, g/mol:

558.222683

ΔHf, kcal/mol:

-127.67

Dipole, Da:

2.25

IP(EA), eV:

 -8.9(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,3R,4S,5R)-2-[6-[[(1R)-1,4-dihydronaphthalen-1-yl]amino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N[C@@H]5C=CCC6=CC=CC=C56)CO)O)OC

DOS

IR

Vibrations