Geometry & MOs

Info

ID:

224008

PubChem CID:

85336951

Reduced:

O2F3N5H20C23 (1)

Stoich.:

A2B3C5D20E23 (1)

Weight, g/mol:

463.216573

ΔHf, kcal/mol:

-146.94

Dipole, Da:

7.64

IP(EA), eV:

 -8.9(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[5-fluoro-4-[methyl-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl)amino]pyrimidin-2-yl]amino]-2-methylphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C=CC4=C(N=C5N4C=CC=C5)C(F)(F)F

DOS

IR

Vibrations