Geometry & MOs

Info

ID:	64450
PubChem CID:	29200663
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-121.46
Dipole, Da:	2.86
IP(EA), eV:	-8.72(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-ethylpiperidin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

DOS

IR

Vibrations