Geometry & MOs

Info

ID:	37640
PubChem CID:	8022746
Reduced:	ClN2O2S2F3H10C12 (1)
Stoich.:	AB2C2D2E3F10G12 (1)
Weight, g/mol:	301.995048
ΔH_f, kcal/mol:	-206.85
Dipole, Da:	4.55
IP(EA), eV:	-9.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-3-(4-chlorophenyl)-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=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations