Geometry & MOs

Info

ID:	19659
PubChem CID:	569904
Reduced:	ClSO2H15C20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	354.048129
ΔH_f, kcal/mol:	-2.92
Dipole, Da:	2.45
IP(EA), eV:	-9.26(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-1-phenyl-2-thiophen-2-ylbutane-1,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations