Geometry & MOs

Info

ID:	425294
PubChem CID:	135125844
Reduced:	SO2F3N3C20H20 (1)
Stoich.:	AB2C3D3E20F20 (1)
Weight, g/mol:	461.123226
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	6.94
IP(EA), eV:	-9.38(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)C(C(=N1)N)(C)C)C2=C(C=CC(=C2)/C=C(/C3=NC=C(C=C3)F)\F)F

DOS

IR

Vibrations