Geometry & MOs

Info

ID:	44369
PubChem CID:	10503195
Reduced:	Cl2N2O2S2H16C19 (1)
Stoich.:	A2B2C2D2E16F19 (1)
Weight, g/mol:	439.102434
ΔH_f, kcal/mol:	-3.38
Dipole, Da:	0.61
IP(EA), eV:	-9.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[[1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1C2(COC(=N2)SCC3=CC=CC=C3Cl)N=C(O1)SCC4=CC=CC=C4Cl

DOS

IR

Vibrations