Geometry & MOs

Info

ID:	20903
PubChem CID:	586289
Reduced:	ClSO2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	264.001178
ΔH_f, kcal/mol:	-20.44
Dipole, Da:	4.84
IP(EA), eV:	-9.21(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 3-thiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C=CC(=O)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations