Geometry & MOs

Info

ID:	425248
PubChem CID:	135125643
Reduced:	F3N3O4H16C17 (1)
Stoich.:	A3B3C4D16E17 (1)
Weight, g/mol:	441.08378
ΔH_f, kcal/mol:	-238.06
Dipole, Da:	6.58
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluoropyridin-3-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)OC(F)(F)F)CNC(=O)C2=CC=C(C=C2)/C(=N\O)/N

DOS

IR

Vibrations