Geometry & MOs

Info

ID:	37643
PubChem CID:	8022761
Reduced:	BrFN2O2S2H10C11 (1)
Stoich.:	ABC2D2E2F10G11 (1)
Weight, g/mol:	363.93511
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	3.6
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-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

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

DOS

IR

Vibrations