Geometry & MOs

Info

ID:	209261
PubChem CID:	80644888
Reduced:	ClN2O2S2H11C13 (1)
Stoich.:	AB2C2D2E11F13 (1)
Weight, g/mol:	241.962685
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	6.56
IP(EA), eV:	-8.9(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=S)N)NC(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations