Geometry & MOs

Info

ID:	302694
PubChem CID:	124391998
Reduced:	BrNO3H18C27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	388.994713
ΔH_f, kcal/mol:	18.81
Dipole, Da:	6.87
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(4-chlorobenzoyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)COC3=C(C=C(C=C3)/C=C(/C#N)\C4=CC=C(C=C4)C(=O)O)Br

DOS

IR

Vibrations