Geometry & MOs

Info

ID:

427765

PubChem CID:

135162327

Reduced:

ClFON5C21H25 (1)

Stoich.:

ABCD5E21F25 (1)

Weight, g/mol:

617.365365

ΔHf, kcal/mol:

-4.97

Dipole, Da:

10.62

IP(EA), eV:

 -8.78(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[8-[[2-[2-[5-fluoro-4-[(E)-1-[5-(1-fluoroethenyl)-2-methyl-3-propan-2-ylimidazol-4-yl]prop-1-en-2-yl]pyridin-2-yl]ethyl]pyrimidin-5-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]morpholine

Drug info:

PubChemData

Smile

CCCC(CCN1C2=CC=NC(=O)C2=C(N1)NC3=CC=C(C=C3)Cl)N4CC(C4)F

DOS

IR

Vibrations