Geometry & MOs

Info

ID:	193217
PubChem CID:	78358716
Reduced:	SN3O5C26H37 (1)
Stoich.:	AB3C5D26E37 (1)
Weight, g/mol:	415.057982
ΔH_f, kcal/mol:	-195.88
Dipole, Da:	10.03
IP(EA), eV:	-8.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-5-[(3-phenylpyrazolidin-4-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

CCC(C)SC1NC2C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)N1

DOS

IR

Vibrations