Geometry & MOs

Info

ID:	37625
PubChem CID:	8022674
Reduced:	FN2O2S2C11H11 (1)
Stoich.:	AB2C2D2E11F11 (1)
Weight, g/mol:	310.08097
ΔH_f, kcal/mol:	-83.61
Dipole, Da:	2.02
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-5,5-dioxo-3-(4-propan-2-ylphenyl)-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=C3F

DOS

IR

Vibrations