Geometry & MOs

Info

ID:	150750
PubChem CID:	53790446
Reduced:	O6C13H20 (1)
Stoich.:	A6B13C20 (1)
Weight, g/mol:	288.09662
ΔH_f, kcal/mol:	-280.85
Dipole, Da:	6.71
IP(EA), eV:	-10.24(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(dithiolan-3-yl)butyl]-5-hydroxy-3,4-dimethylimidazol-2-one

Drug info:

PubChemData

Smile

CC(C1[C@@H](CCC1=O)C(C)(C(=O)OC)C(=O)OC)O

DOS

IR

Vibrations