Geometry & MOs

Info

ID:	416075
PubChem CID:	135089083
Reduced:	SF2N2O3C20H28 (1)
Stoich.:	AB2C2D3E20F28 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-224.7
Dipole, Da:	4.24
IP(EA), eV:	-9.11(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-pyridin-3-yloxypiperidin-1-yl)-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=CC(=C(C=C3)F)F)NC(=O)CSC

DOS

IR

Vibrations