Geometry & MOs

Info

ID:	393854
PubChem CID:	135021829
Reduced:	SH11C13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	262.039672
ΔH_f, kcal/mol:	91.65
Dipole, Da:	3.26
IP(EA), eV:	-8.36(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(chloromethyl)benzoyl]-6-methylpyran-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC(=CC2=CC3=CC=CC=C3C=C2)SC4=CC=C(C=C4)C

DOS

IR

Vibrations