Geometry & MOs

Info

ID:	24628
PubChem CID:	611501
Reduced:	ClS2N3O3H8C14 (1)
Stoich.:	AB2C3D3E8F14 (1)
Weight, g/mol:	364.969561
ΔH_f, kcal/mol:	-9.46
Dipole, Da:	4.35
IP(EA), eV:	-9.19(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)N(C(=N)S3)C4=NC=CS4)Cl

DOS

IR

Vibrations