Geometry & MOs

Info

ID:	425375
PubChem CID:	135126100
Reduced:	SF2O4N5C21H25 (1)
Stoich.:	AB2C4D5E21F25 (1)
Weight, g/mol:	444.063459
ΔH_f, kcal/mol:	-169.78
Dipole, Da:	5.88
IP(EA), eV:	-9.15(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(COC)OC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)[C@@]3(CS(=O)(=O)N(C(=N3)N)C)C)/F

DOS

IR

Vibrations