Geometry & MOs

Info

ID:	37632
PubChem CID:	8022699
Reduced:	Cl2N2O2S2H10C11 (1)
Stoich.:	A2B2C2D2E10F11 (1)
Weight, g/mol:	268.03402
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	2.15
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5,5-dioxo-3-phenyl-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=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations