Geometry & MOs

Info

ID:	394012
PubChem CID:	135022168
Reduced:	NOSH15C18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	221.024356
ΔH_f, kcal/mol:	51.47
Dipole, Da:	3.95
IP(EA), eV:	-8.35(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloropyridin-2-yl)-6-methylpyran-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)C2=CC=CC=N2)C3=CC=CC=C3

DOS

IR

Vibrations