Geometry & MOs

Info

ID:	244067
PubChem CID:	99309598
Reduced:	SO2N5C26H31 (1)
Stoich.:	AB2C5D26E31 (1)
Weight, g/mol:	441.27399
ΔH_f, kcal/mol:	-24.88
Dipole, Da:	0.57
IP(EA), eV:	-8.43(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCCC(=O)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations