Geometry & MOs

Info

ID:	37628
PubChem CID:	8022683
Reduced:	ClN2S2O3C12H13 (1)
Stoich.:	AB2C2D3E12F13 (1)
Weight, g/mol:	332.005612
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	5.95
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-3-(5-chloro-2-methoxyphenyl)-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