Geometry & MOs

Info

ID:	163615
PubChem CID:	58097989
Reduced:	SO2N4C29H36 (1)
Stoich.:	AB2C4D29E36 (1)
Weight, g/mol:	550.240248
ΔH_f, kcal/mol:	-7.33
Dipole, Da:	7.82
IP(EA), eV:	-8.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,2S)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-9-oxofluorene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/C(=O)NC[C@@H]2CCCC[C@@H]2CN3CCN(CC3)C4=NSC5=CC=CC=C54

DOS

IR

Vibrations