Geometry & MOs

Info

ID:	131364
PubChem CID:	51196814
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	4.61
IP(EA), eV:	-8.7(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)NC(C)CCC3=CC=CO3

DOS

IR

Vibrations