Geometry & MOs

Info

ID:	447511
PubChem CID:	135283479
Reduced:	ClSN2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	516.102289
ΔH_f, kcal/mol:	-51.48
Dipole, Da:	4.27
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)sulfanyl-1-[[3-[(2-oxo-1H-pyridin-4-yl)amino]phenyl]-phenylmethyl]pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2C(=O)C(C(=O)N2)SC3=CC=CC=C3Cl

DOS

IR

Vibrations