Geometry & MOs

Info

ID:	37633
PubChem CID:	8022705
Reduced:	N2O2S2C11H12 (1)
Stoich.:	A2B2C2D11E12 (1)
Weight, g/mol:	298.044585
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	4.73
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-3-(4-methoxyphenyl)-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

DOS

IR

Vibrations