Geometry & MOs

Info

ID:	121972
PubChem CID:	50788579
Reduced:	SN3O4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	431.12817
ΔH_f, kcal/mol:	-163.55
Dipole, Da:	5.73
IP(EA), eV:	-8.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-(oxolan-2-ylmethyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2CCCO2)CC(=O)N3CCNCC3

DOS

IR

Vibrations