Geometry & MOs

Info

ID:

447857

PubChem CID:

135286375

Reduced:

ClFO2N5C25H25 (1)

Stoich.:

ABC2D5E25F25 (1)

Weight, g/mol:

496.216907

ΔHf, kcal/mol:

-52.7

Dipole, Da:

5.14

IP(EA), eV:

 -8.85(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]pyridin-3-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(N=C2C(=C1Cl)N[C@H](C)C3=CC=CC(=C3)CO)C4=CN=C(N=C4)C(C)(C)O)F

DOS

IR

Vibrations