Geometry & MOs

Info

ID:	124086
PubChem CID:	50872116
Reduced:	SBr2N2O2H10C17 (1)
Stoich.:	AB2C2D2E10F17 (1)
Weight, g/mol:	346.08097
ΔH_f, kcal/mol:	39.78
Dipole, Da:	3.19
IP(EA), eV:	-9.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(2-morpholin-4-ylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)Br

DOS

IR

Vibrations