Geometry & MOs

Info

ID:	57017
PubChem CID:	22395225
Reduced:	SC3F3H3 (1)
Stoich.:	AB3C3D3 (1)
Weight, g/mol:	155.040485
ΔH_f, kcal/mol:	-137.9
Dipole, Da:	1.75
IP(EA), eV:	-9.38(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Drug info:

PubChemData

Smile

C(C=S)C(F)(F)F

DOS

IR

Vibrations