Geometry & MOs

Info

ID:	13991
PubChem CID:	401352
Reduced:	ClOSN3C29H30 (1)
Stoich.:	ABCD3E29F30 (1)
Weight, g/mol:	503.179812
ΔH_f, kcal/mol:	37.01
Dipole, Da:	2.79
IP(EA), eV:	-8.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-phenyl-N-(4-phenylpiperazine-1-carbothioyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)N(C3=CC=CC=C3)C(=S)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations