Geometry & MOs

Info

ID:	37630
PubChem CID:	8022696
Reduced:	BrClN2O2S2H10C11 (1)
Stoich.:	ABC2D2E2F10G11 (1)
Weight, g/mol:	379.90556
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	3.82
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-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

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

DOS

IR

Vibrations