Geometry & MOs

Info

ID:	187937
PubChem CID:	77645713
Reduced:	FSO2N4C24H25 (1)
Stoich.:	ABC2D4E24F25 (1)
Weight, g/mol:	392.20124
ΔH_f, kcal/mol:	-19.36
Dipole, Da:	5.23
IP(EA), eV:	-8.71(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-fluoro-5-[3-(6-methylpyridin-2-yl)pyrazolidin-4-yl]phenyl]pyridin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2C(CNN2)C3=CC(=C(C=C3)F)C4=CC=C(C=C4)NS(=O)(=O)C5CC5

DOS

IR

Vibrations