Geometry & MOs

Info

ID:	236286
PubChem CID:	92712222
Reduced:	SN3O5C24H33 (1)
Stoich.:	AB3C5D24E33 (1)
Weight, g/mol:	419.187878
ΔH_f, kcal/mol:	-204.1
Dipole, Da:	9.49
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylindol-5-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCC[C@@H](C4)C(=O)OCC

DOS

IR

Vibrations