Geometry & MOs

Info

ID:

439570

PubChem CID:

135229346

Reduced:

FNO2C12H13 (2)

Stoich.:

ABC2D12E13 (2)

Weight, g/mol:

717.320957

ΔHf, kcal/mol:

-195.32

Dipole, Da:

3.23

IP(EA), eV:

 -8.57(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methylsulfanyl-3-[1-[2-oxo-2-[1-(5-pyrimidin-2-ylpyridin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1C(C2=C(N1CCO)C=CC(=C2)F)/C(=C(/C=O)\C3=CC(=CC=C3)OCCF)/C(=O)NC

DOS

IR

Vibrations