Geometry & MOs

Info

ID:	404201
PubChem CID:	135065386
Reduced:	NF2O3H17C23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	255.072928
ΔH_f, kcal/mol:	-129.43
Dipole, Da:	3.57
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-fluoro-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3[C@](C2=O)([C@@H](C(=O)C4=CC=C(C=C4)F)F)O

DOS

IR

Vibrations