Geometry & MOs

Info

ID:	37631
PubChem CID:	8022697
Reduced:	BrClN2O2S2H10C11 (1)
Stoich.:	ABC2D2E2F10G11 (1)
Weight, g/mol:	335.956075
ΔH_f, kcal/mol:	-42.84
Dipole, Da:	4.01
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-3-(2,3-dichlorophenyl)-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=C(C=C(C=C3)Br)Cl

DOS

IR

Vibrations