Geometry & MOs

Info

ID:

425043

PubChem CID:

135124947

Reduced:

SF2O2N6H18C20 (1)

Stoich.:

AB2C2D6E18F20 (1)

Weight, g/mol:

446.133651

ΔHf, kcal/mol:

-13.16

Dipole, Da:

2.24

IP(EA), eV:

 -9.66(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[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]pyrazine-2-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(N=C4)C#N)\F)F

DOS

IR

Vibrations