Geometry & MOs

Info

ID:	268504
PubChem CID:	103599670
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	421.239913
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	6.8
IP(EA), eV:	-8.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CC=C1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations