Geometry & MOs

Info

ID:	137847
PubChem CID:	52270993
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	289.134779
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	3.3
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentylsulfonyl-1-[(3S)-3-methylmorpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C

DOS

IR

Vibrations