Geometry & MOs

Info

ID:	245047
PubChem CID:	99432246
Reduced:	SN3O5H21C22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	478.167477
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	2.55
IP(EA), eV:	-8.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=CC=CC=C3C=C2C(=O)OCC(=O)C4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations