Geometry & MOs

Info

ID:	183785
PubChem CID:	77070028
Reduced:	ClOSH5C7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	343.949927
ΔH_f, kcal/mol:	-35.42
Dipole, Da:	4.34
IP(EA), eV:	-9.09(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3,4-dichlorophenyl)sulfanylmethyl]thiophen-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SCC2=CC=C(S2)C=CC(=O)O)Cl)Cl

DOS

IR

Vibrations