Geometry & MOs

Info

ID:	37624
PubChem CID:	8022669
Reduced:	BrN2O2S2C11H11 (1)
Stoich.:	AB2C2D2E11F11 (1)
Weight, g/mol:	286.024598
ΔH_f, kcal/mol:	-34.85
Dipole, Da:	4.76
IP(EA), eV:	-8.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-3-(2-fluorophenyl)-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=CC=C(C=C3)Br

DOS

IR

Vibrations