Geometry & MOs

Info

ID:	425316
PubChem CID:	135125911
Reduced:	SF3O4N6H19C21 (1)
Stoich.:	AB3C4D6E19F21 (1)
Weight, g/mol:	414.9663
ΔH_f, kcal/mol:	-155.27
Dipole, Da:	8.81
IP(EA), eV:	-9.46(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(2,3-difluoro-5-iodophenyl)-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(/C3=CN=C(C=N3)OCC4=NC=CO4)\F)F)F

DOS

IR

Vibrations