Geometry & MOs

Info

ID:	123041
PubChem CID:	50831089
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	452.222369
ΔH_f, kcal/mol:	-150.21
Dipole, Da:	9.29
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations