Geometry & MOs

Info

ID:	214389
PubChem CID:	84981826
Reduced:	SN4O4C18H28 (1)
Stoich.:	AB4C4D18E28 (1)
Weight, g/mol:	411.239616
ΔH_f, kcal/mol:	-181.26
Dipole, Da:	8.05
IP(EA), eV:	-9.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C(C)C)NC(=O)N

DOS

IR

Vibrations