Geometry & MOs

Info

ID:	158727
PubChem CID:	56465230
Reduced:	N3O3C25H35 (1)
Stoich.:	A3B3C25D35 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-82.93
Dipole, Da:	2.17
IP(EA), eV:	-8.51(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3)OC

DOS

IR

Vibrations