Geometry & MOs

Info

ID:	37629
PubChem CID:	8022685
Reduced:	ClN2S2O3C12H13 (1)
Stoich.:	AB2C2D3E12F13 (1)
Weight, g/mol:	379.90556
ΔH_f, kcal/mol:	-86.4
Dipole, Da:	6.12
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations