Geometry & MOs

Info

ID:

425385

PubChem CID:

135126156

Reduced:

ClSF2N4O4H19C20 (1)

Stoich.:

ABC2D4E4F19G20 (1)

Weight, g/mol:

442.067796

ΔHf, kcal/mol:

-182.4

Dipole, Da:

7.87

IP(EA), eV:

 -9.37(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-1-fluoroethenyl]-5-chloro-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=NC=C1Cl)/C(=C/C2=CC(=C(C=C2)F)[C@@]3(CS(=O)(=O)N(C(=N3)N)C)C)/F

DOS

IR

Vibrations