Geometry & MOs

Info

ID:	157034
PubChem CID:	56413041
Reduced:	SO2F3N3C22H24 (1)
Stoich.:	AB2C3D3E22F24 (1)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	-218.42
Dipole, Da:	10.07
IP(EA), eV:	-8.88(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=C(C=C2)C(F)(F)F)CC(=O)NC3=CC=CC=C3SCC(=O)N

DOS

IR

Vibrations