Geometry & MOs

Info

ID:	425426
PubChem CID:	135126295
Reduced:	ClSO2N3F5H19C21 (1)
Stoich.:	ABC2D3E5F19G21 (1)
Weight, g/mol:	461.133317
ΔH_f, kcal/mol:	-270.3
Dipole, Da:	5.47
IP(EA), eV:	-9.69(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)C=C(C3=C(C=C(C=N3)C(F)(F)F)Cl)F)F)N)C

DOS

IR

Vibrations