Geometry & MOs

Info

ID:	333002
PubChem CID:	127251426
Reduced:	O2F3N3H22C24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-128.58
Dipole, Da:	7.32
IP(EA), eV:	-9.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzyl-6-methylpyridin-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=CC=CC=N3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations