Geometry & MOs

Info

ID:

309267

PubChem CID:

126541430

Reduced:

SO2F3N4C28H33 (1)

Stoich.:

AB2C3D4E28F33 (1)

Weight, g/mol:

580.206418

ΔHf, kcal/mol:

-143.44

Dipole, Da:

4.57

IP(EA), eV:

 -8.64(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoroprop-1-en-2-yl 4-[(3-chloro-4-fluoro-N-[hydroxy-[1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]methyl]anilino)methyl]-3-fluorobenzenecarboximidate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=NN=C(O3)C(F)F)S(=O)C4CCN(CC4)C5CCC(CC5)F

DOS

IR

Vibrations