Geometry & MOs

Info

ID:	411234
PubChem CID:	135084047
Reduced:	ON2Cl3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	247.012556
ΔH_f, kcal/mol:	20.31
Dipole, Da:	4.69
IP(EA), eV:	-9.2(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-pyridin-3-yl-3-sulfanyl-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C=N/NC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations