Geometry & MOs

Info

ID:

314640

PubChem CID:

126622537

Reduced:

O2F3N8H25C29 (1)

Stoich.:

A2B3C8D25E29 (1)

Weight, g/mol:

552.164535

ΔHf, kcal/mol:

-73.24

Dipole, Da:

3.04

IP(EA), eV:

 -8.81(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)pyridin-2-yl]purin-6-yl]amino]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)NC2=C3C(=NC(=N2)C4=NC(=CC=C4)C(F)(F)F)N(C(=N3)C5CC5)CC6=CC=C(C=C6)OC

DOS

IR

Vibrations