Geometry & MOs

Info

ID:	121436
PubChem CID:	50768000
Reduced:	SO3N4C21H34 (1)
Stoich.:	AB3C4D21E34 (1)
Weight, g/mol:	407.224263
ΔH_f, kcal/mol:	-111.0
Dipole, Da:	9.84
IP(EA), eV:	-8.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-pyrrolidin-1-ylbutyl)acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCNC(=O)CC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations