Geometry & MOs

Info

ID:	37642
PubChem CID:	8022756
Reduced:	BrN2O2S2C13H15 (1)
Stoich.:	AB2C2D2E13F15 (1)
Weight, g/mol:	363.93511
ΔH_f, kcal/mol:	-54.82
Dipole, Da:	5.73
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N2[C@H]3CS(=O)(=O)C[C@H]3NC2=S)C)Br

DOS

IR

Vibrations