Geometry & MOs

Info

ID:	309725
PubChem CID:	126556339
Reduced:	FSO2N5C19H20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	351.15291
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	5.34
IP(EA), eV:	-8.4(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

C\1COC2=C(/C1=N\NC(=S)N3CCN(CC3)C4=CC(=CC=C4)O)N=C(C=C2)F

DOS

IR

Vibrations