Geometry & MOs

Info

ID:	425470
PubChem CID:	135126429
Reduced:	SF2N4H14C19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	470.02237
ΔH_f, kcal/mol:	43.36
Dipole, Da:	2.14
IP(EA), eV:	-9.11(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[2-(5-bromopyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations