Geometry & MOs

Info

ID:	121647
PubChem CID:	50775931
Reduced:	SN3O5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-155.18
Dipole, Da:	6.56
IP(EA), eV:	-8.75(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)S(=O)(=O)N(CCC(=O)N2CCNCC2)C3CC3

DOS

IR

Vibrations