Geometry & MOs

Info

ID:	158404
PubChem CID:	56463576
Reduced:	ON5C27H29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	407.206505
ΔH_f, kcal/mol:	63.12
Dipole, Da:	4.98
IP(EA), eV:	-8.36(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dithiolan-3-yl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]pentanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54

DOS

IR

Vibrations