Geometry & MOs

Info

ID:	425451
PubChem CID:	135126373
Reduced:	SF3N3O3C18H22 (1)
Stoich.:	AB3C3D3E18F22 (1)
Weight, g/mol:	417.133397
ΔH_f, kcal/mol:	-223.35
Dipole, Da:	5.89
IP(EA), eV:	-9.73(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,3-difluoro-5-[2-fluoro-2-(oxan-4-yl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C(=CC(=C2)/C=C(/C3CCOCC3)\F)F)F

DOS

IR

Vibrations