Geometry & MOs

Info

ID:	37621
PubChem CID:	8022661
Reduced:	NOSC6H7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	282.04967
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	3.59
IP(EA), eV:	-8.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3NC2=S

DOS

IR

Vibrations