Geometry & MOs

Info

ID:	447517
PubChem CID:	135283490
Reduced:	ClSN3O4C28H28 (1)
Stoich.:	ABC3D4E28F28 (1)
Weight, g/mol:	519.138341
ΔH_f, kcal/mol:	-63.94
Dipole, Da:	1.28
IP(EA), eV:	-8.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)sulfanyl-1-[[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-phenylmethyl]pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

COCC1CN(CCO1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C(=O)C(C(=O)N4)SC5=CC=CC=C5Cl

DOS

IR

Vibrations