Geometry & MOs

Info

ID:	121669
PubChem CID:	50776321
Reduced:	ClS2O3N4C20H33 (1)
Stoich.:	AB2C3D4E20F33 (1)
Weight, g/mol:	464.282112
ΔH_f, kcal/mol:	-114.83
Dipole, Da:	4.64
IP(EA), eV:	-8.77(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,4-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CCN(CCC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(S3)Cl)C

DOS

IR

Vibrations