Geometry & MOs

Info

ID:	306314
PubChem CID:	125003714
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	526.150463
ΔH_f, kcal/mol:	73.05
Dipole, Da:	4.51
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-[(4-chlorophenoxy)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C1COC[C@@H](CN1CC2=CC(=CC=C2)OC3=NC=CC=N3)CC4=NN5C=CN=C5C=C4

DOS

IR

Vibrations