Geometry & MOs

Info

ID:	221081
PubChem CID:	85256747
Reduced:	SO4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	272.076553
ΔH_f, kcal/mol:	-194.13
Dipole, Da:	3.1
IP(EA), eV:	-8.74(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethanethioyl-3,3a,4,6a-tetramethyl-2-sulfanylidene-1H-imidazo[4,5-d]imidazol-5-one

Drug info:

PubChemData

Smile

CCCSCC1C2CC3(C(CC2=O)(OC1O3)C)O

DOS

IR

Vibrations