Geometry & MOs

Info

ID:

178734

PubChem CID:

76372961

Reduced:

F3N3O3H20C25 (1)

Stoich.:

A3B3C3D20E25 (1)

Weight, g/mol:

489.101538

ΔHf, kcal/mol:

-138.84

Dipole, Da:

6.24

IP(EA), eV:

 -9.25(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-N-[4-[2-(chloromethyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-yl]pyridin-3-yl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C=C1C(CC(OC12CC2)C3=C(C=NC=C3)NC(=O)C4=NC(=C(C=C4)F)C5=C(C=CC=C5F)F)O

DOS

IR

Vibrations