Geometry & MOs

Info

ID:	121667
PubChem CID:	50776319
Reduced:	SN4O4C22H36 (1)
Stoich.:	AB4C4D22E36 (1)
Weight, g/mol:	450.266462
ΔH_f, kcal/mol:	-165.95
Dipole, Da:	4.95
IP(EA), eV:	-8.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN3CCCCC3

DOS

IR

Vibrations