Geometry & MOs

Info

ID:	132994
PubChem CID:	51459478
Reduced:	ClO4N5H18C22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	441.160994
ΔH_f, kcal/mol:	60.98
Dipole, Da:	3.47
IP(EA), eV:	-8.99(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2=NN=C3[C@H]2[C@@H](C(=C(O3)N)C#N)C4=C(C=CC=C4Cl)[N+](=O)[O-]

DOS

IR

Vibrations