Geometry & MOs

Info

ID:	81230
PubChem CID:	49854487
Reduced:	SN4O6C26H28 (1)
Stoich.:	AB4C6D26E28 (1)
Weight, g/mol:	536.209341
ΔH_f, kcal/mol:	-179.73
Dipole, Da:	9.98
IP(EA), eV:	-8.84(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentylethyl 4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(OC1)COC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations