Geometry & MOs

Info

ID:	350136
PubChem CID:	127277214
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-52.22
Dipole, Da:	4.18
IP(EA), eV:	-8.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCCC3CN4CCCCC4)C=CC=N2

DOS

IR

Vibrations