Geometry & MOs

Info

ID:

425212

PubChem CID:

135125536

Reduced:

SF3O3N4H21C22 (1)

Stoich.:

AB3C3D4E21F22 (1)

Weight, g/mol:

443.122752

ΔHf, kcal/mol:

-111.76

Dipole, Da:

2.81

IP(EA), eV:

 -9.45(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(8R)-6-amino-5,8-dimethyl-4,4-dioxo-4lambda6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(CF)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC#C)F)F)N)C

DOS

IR

Vibrations