Geometry & MOs

Info

ID:	425223
PubChem CID:	135125568
Reduced:	BrSO2F3N4H16C18 (1)
Stoich.:	ABC2D3E4F16G18 (1)
Weight, g/mol:	426.072881
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	5.9
IP(EA), eV:	-9.65(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C(=CC(=C2)C=C(C3=NC=C(C=C3)Br)F)F)F

DOS

IR

Vibrations