Geometry & MOs

Info

ID:	228289
PubChem CID:	87563816
Reduced:	PO15H21C31 (1)
Stoich.:	AB15C21D31 (1)
Weight, g/mol:	146.999014
ΔH_f, kcal/mol:	-531.25
Dipole, Da:	7.79
IP(EA), eV:	-8.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1,3-thiazolidin-2-yl) formate

Drug info:

PubChemData

Smile

CP(=O)(OC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)OC4=CC(=C5C(=C4)OC(=C(C5=O)O)C6=CC(=C(C=C6)O)O)O

DOS

IR

Vibrations