Geometry & MOs

Info

ID:	425480
PubChem CID:	135126469
Reduced:	SF2O3N5H19C20 (1)
Stoich.:	AB2C3D5E19F20 (1)
Weight, g/mol:	361.054398
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	7.07
IP(EA), eV:	-9.25(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,3-difluoro-5-formylphenyl)-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)N(C(=N1)N)C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OCC#C)\F)F

DOS

IR

Vibrations