Geometry & MOs

Info

ID:	287585
PubChem CID:	104247751
Reduced:	OSN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	302.088912
ΔH_f, kcal/mol:	-25.93
Dipole, Da:	2.42
IP(EA), eV:	-8.77(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)N(C(=O)C=C2)CCC(=S)N

DOS

IR

Vibrations