Geometry & MOs

Info

ID:	19849
PubChem CID:	574099
Reduced:	ClSO2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	252.001178
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	3.15
IP(EA), eV:	-9.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)methyl thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)OCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations