Geometry & MOs

Info

ID:	37623
PubChem CID:	8022666
Reduced:	N2S2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	345.94453
ΔH_f, kcal/mol:	-110.96
Dipole, Da:	4.44
IP(EA), eV:	-8.8(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)N3[C@H]4CS(=O)(=O)C[C@@H]4NC3=S

DOS

IR

Vibrations