Geometry & MOs

Info

ID:	309766
PubChem CID:	126557871
Reduced:	FOSN6C19H21 (1)
Stoich.:	ABCD6E19F21 (1)
Weight, g/mol:	367.086974
ΔH_f, kcal/mol:	26.56
Dipole, Da:	5.72
IP(EA), eV:	-8.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[(Z)-(8-chloro-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=C(C=C4)N)N=CC(=C2)F

DOS

IR

Vibrations