Geometry & MOs

Info

ID:	216685
PubChem CID:	85086607
Reduced:	OF3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	294.088557
ΔH_f, kcal/mol:	-138.2
Dipole, Da:	3.09
IP(EA), eV:	-9.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,3-dihydroxypropan-2-yloxy)-2,3-dihydroxypropyl]-4-sulfanylidene-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

COC1C(C1C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations