Geometry & MOs

Info

ID:	159636
PubChem CID:	57288564
Reduced:	SN2O5C8H10 (1)
Stoich.:	AB2C5D8E10 (1)
Weight, g/mol:	241.990135
ΔH_f, kcal/mol:	-185.68
Dipole, Da:	8.8
IP(EA), eV:	-9.17(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(2-chlorophenyl)-2,5-dihydropyran-6-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)OCC(=O)N)N)O

DOS

IR

Vibrations