Geometry & MOs

Info

ID:	283392
PubChem CID:	103979538
Reduced:	FN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-80.0
Dipole, Da:	3.69
IP(EA), eV:	-9.97(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)benzenecarbothioamide

Drug info:

PubChemData

Smile

C1CC2C(C1)C(=O)N(C2=O)C3=C(C=C(C=C3)F)C#N

DOS

IR

Vibrations