Geometry & MOs

Info

ID:	236745
PubChem CID:	92714618
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-90.89
Dipole, Da:	3.07
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-1,3,3-trimethylindol-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C4(C)C)C

DOS

IR

Vibrations