Geometry & MOs

Info

ID:	21135
PubChem CID:	587313
Reduced:	ClSO2H9C15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	288.001178
ΔH_f, kcal/mol:	1.05
Dipole, Da:	4.34
IP(EA), eV:	-9.07(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-(thiophen-2-ylmethylidene)furan-2-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C=C2C=C(OC2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations