Geometry & MOs

Info

ID:	332905
PubChem CID:	127251329
Reduced:	FON5H22C25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	444.143153
ΔH_f, kcal/mol:	19.81
Dipole, Da:	4.89
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N-(5-fluoropyridin-2-yl)-6-methylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)C3=NC=CC4=CC=CC=C43)NC5=NC=C(C=C5)F

DOS

IR

Vibrations