Geometry & MOs

Info

ID:	121966
PubChem CID:	50788329
Reduced:	ClSO3N5C24H24 (1)
Stoich.:	ABC3D5E24F24 (1)
Weight, g/mol:	484.250812
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	5.04
IP(EA), eV:	-8.52(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-4-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=NN=C(S3)C(=O)NC4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations