Geometry & MOs

Info

ID:	125910
PubChem CID:	50943675
Reduced:	ClNS2O3H10C13 (2)
Stoich.:	ABC2D3E10F13 (2)
Weight, g/mol:	344.027393
ΔH_f, kcal/mol:	-147.33
Dipole, Da:	1.91
IP(EA), eV:	-8.29(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloro-2-methylphenoxy)-2-[(E)-2-thiophen-3-ylethenyl]pyran-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC4=C(C=C3NS(=O)(=O)C5=C(C6=C(S5)C=CC(=C6)Cl)C)OCCO4

DOS

IR

Vibrations