Geometry & MOs

Info

ID:	180598
PubChem CID:	76658957
Reduced:	NS2O6C24H31 (1)
Stoich.:	AB2C6D24E31 (1)
Weight, g/mol:	454.230157
ΔH_f, kcal/mol:	-218.86
Dipole, Da:	6.08
IP(EA), eV:	-9.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)CC(=O)C3=CC=C(C=C3)CS(=O)(=O)C(C)C

DOS

IR

Vibrations