Geometry & MOs

Info

ID:	121433
PubChem CID:	50767861
Reduced:	SN3O5C22H31 (1)
Stoich.:	AB3C5D22E31 (1)
Weight, g/mol:	421.239913
ΔH_f, kcal/mol:	-198.18
Dipole, Da:	7.6
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylbutyl)acetamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N(C1=O)CC(=O)N4CCCCCC4)C

DOS

IR

Vibrations