Geometry & MOs

Info

ID:	425478
PubChem CID:	135126461
Reduced:	SF2O2N4C21H22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	432.143153
ΔH_f, kcal/mol:	-73.32
Dipole, Da:	2.81
IP(EA), eV:	-8.67(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[3-(5-amino-1,1-dihydroxy-3,6,6-trimethyl-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations