Geometry & MOs

Info

ID:	158227
PubChem CID:	56463190
Reduced:	SO3N5C26H33 (1)
Stoich.:	AB3C5D26E33 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-68.69
Dipole, Da:	5.96
IP(EA), eV:	-8.47(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCOC

DOS

IR

Vibrations