Geometry & MOs

Info

ID:	220529
PubChem CID:	85197661
Reduced:	PO7C13H25 (1)
Stoich.:	AB7C13D25 (1)
Weight, g/mol:	324.066759
ΔH_f, kcal/mol:	-391.81
Dipole, Da:	4.82
IP(EA), eV:	-10.14(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-12-phenyl-3,8,11,13-tetraoxa-5-thiatricyclo[7.4.0.02,6]tridecan-4-one

Drug info:

PubChemData

Smile

CCOP(=O)(CC1C2C(C(O1)OC)OC(O2)(C)C)OCC

DOS

IR

Vibrations