Geometry & MOs

Info

ID:	21052
PubChem CID:	587047
Reduced:	ClNSO2H14C19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	355.043378
ΔH_f, kcal/mol:	7.23
Dipole, Da:	3.17
IP(EA), eV:	-9.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-1-pyridin-3-yl-2-thiophen-2-ylbutane-1,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)C(CC(=O)C2=CC=C(C=C2)Cl)C3=CC=CS3

DOS

IR

Vibrations