Geometry & MOs

Info

ID:	37635
PubChem CID:	8022719
Reduced:	FN2O2S2C11H11 (1)
Stoich.:	AB2C2D2E11F11 (1)
Weight, g/mol:	304.015176
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	2.03
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-3-(2,4-difluorophenyl)-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(=CC=C3)F

DOS

IR

Vibrations