Geometry & MOs

Info

ID:	220301
PubChem CID:	85177274
Reduced:	O6C11H16 (1)
Stoich.:	A6B11C16 (1)
Weight, g/mol:	246.067428
ΔH_f, kcal/mol:	-232.02
Dipole, Da:	2.58
IP(EA), eV:	-10.23(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dihydroxythian-2-yl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COCOC1CC(=CC2C1OCO2)C(=O)OC

DOS

IR

Vibrations