Geometry & MOs

Info

ID:

439575

PubChem CID:

135229351

Reduced:

ClFSO2N8H34C35 (1)

Stoich.:

ABCD2E8F34G35 (1)

Weight, g/mol:

676.274422

ΔHf, kcal/mol:

14.92

Dipole, Da:

5.13

IP(EA), eV:

 -8.42(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-3-[(3S)-1-[2-oxo-2-[1-(5-pyrimidin-2-ylpyridin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CS[C@]1(CCN(C1)C(C(=O)C2CCN(CC2)C3=NC=C(C=C3)C4=NC=CC=N4)Cl)C(=O)NC5=CC6=C(C=C5)NN=C6C7=CC=C(C=C7)F

DOS

IR

Vibrations