Geometry & MOs

Info

ID:	37637
PubChem CID:	8022727
Reduced:	ClN2O2S2C11H11 (1)
Stoich.:	AB2C2D2E11F11 (1)
Weight, g/mol:	286.024598
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	1.83
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](CS1(=O)=O)N(C(=S)N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations