Geometry & MOs

Info

ID:	124110
PubChem CID:	50872805
Reduced:	BrO2N4H17C23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	396.133006
ΔH_f, kcal/mol:	84.68
Dipole, Da:	1.26
IP(EA), eV:	-8.8(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br)OCC4=CC=CC=N4

DOS

IR

Vibrations