Geometry & MOs

Info

ID:	447376
PubChem CID:	135282427
Reduced:	ClFN3O4H21C27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	513.122212
ΔH_f, kcal/mol:	-76.25
Dipole, Da:	7.1
IP(EA), eV:	-9.86(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-1-methoxy-3-oxoisoindol-5-yl]-N-ethyl-2-hydroxypropanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C(=C1)F)C(N(C2=O)CC3=NC=C(C=C3)C#N)(C4=CC=C(C=C4)Cl)OCC5(CC5)O

DOS

IR

Vibrations