Geometry & MOs

Info

ID:	216180
PubChem CID:	85085845
Reduced:	ClO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	239.046358
ΔH_f, kcal/mol:	-84.65
Dipole, Da:	3.88
IP(EA), eV:	-9.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydroxy-4-(1,2,3-trihydroxypropyl)-1,3-oxazinane-2-thione

Drug info:

PubChemData

Smile

C1CC(OC(C1)C2=CC=CC=C2)CC(=O)Cl

DOS

IR

Vibrations