Geometry & MOs

Info

ID:	447518
PubChem CID:	135283495
Reduced:	ClSN3O3H26C28 (1)
Stoich.:	ABC3D3E26F28 (1)
Weight, g/mol:	491.052897
ΔH_f, kcal/mol:	73.36
Dipole, Da:	6.68
IP(EA), eV:	-8.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)sulfanyl-1-[(4-pyridin-4-ylphenyl)-thiophen-3-ylmethyl]pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

C1CC2COCC1N2C3=CC=CC(=C3)C(C4=CC=CC=C4)N5C(=O)C(C(=O)N5)SC6=CC=CC=C6Cl

DOS

IR

Vibrations