Geometry & MOs

Info

ID:	447401
PubChem CID:	135282601
Reduced:	F2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	529.133525
ΔH_f, kcal/mol:	-192.04
Dipole, Da:	4.34
IP(EA), eV:	-9.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-4-fluoro-6-[1-hydroxy-1-(1-methylazetidin-3-yl)ethyl]-3-methoxyisoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)C2=CC(=C(C=C2F)OCC(C)(CC(C)C)NC(=O)O)F

DOS

IR

Vibrations