Geometry & MOs

Info

ID:	425295
PubChem CID:	135125854
Reduced:	SF3N3O5C19H22 (1)
Stoich.:	AB3C3D5E19F22 (1)
Weight, g/mol:	463.138877
ΔH_f, kcal/mol:	-301.36
Dipole, Da:	4.71
IP(EA), eV:	-9.65(-0.59)
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]-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)NC(=O)O)C)C2=C(C(=CC(=C2)/C=C(/C3CCOCC3)\F)F)F

DOS

IR

Vibrations