Geometry & MOs

Info

ID:	158728
PubChem CID:	56465233
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	474.263091
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	4.08
IP(EA), eV:	-8.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3

DOS

IR

Vibrations