Geometry & MOs

Info

ID:	236746
PubChem CID:	92714619
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-131.43
Dipole, Da:	4.03
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C

DOS

IR

Vibrations