Geometry & MOs

Info

ID:	37634
PubChem CID:	8022708
Reduced:	N2S2O3C12H14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	286.024598
ΔH_f, kcal/mol:	-79.15
Dipole, Da:	2.52
IP(EA), eV:	-8.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-3-(3-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3NC2=S

DOS

IR

Vibrations