Geometry & MOs

Info

ID:	158043
PubChem CID:	56459433
Reduced:	SN5O5C24H27 (1)
Stoich.:	AB5C5D24E27 (1)
Weight, g/mol:	448.214427
ΔH_f, kcal/mol:	-114.45
Dipole, Da:	9.15
IP(EA), eV:	-9.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)OC

DOS

IR

Vibrations