Geometry & MOs

Info

ID:

425213

PubChem CID:

135125537

Reduced:

SF2O2N5H19C21 (1)

Stoich.:

AB2C2D5E19F21 (1)

Weight, g/mol:

445.138402

ΔHf, kcal/mol:

-31.33

Dipole, Da:

2.35

IP(EA), eV:

 -9.53(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-[3-(6-amino-4,4-dihydroxy-5,8-dimethyl-4lambda4-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl)-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@]1(C2(CC2)S(=O)(=O)N(C(=N1)N)C)C3=C(C=CC(=C3)/C=C(/C4=NC=C(C=C4)C#N)\F)F

DOS

IR

Vibrations