Geometry & MOs

Info

ID:	447337
PubChem CID:	135282126
Reduced:	N2F3H9C12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	540.133111
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	1.49
IP(EA), eV:	-10.05(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-6-[2-hydroxy-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-3-methoxyisoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)C2=CC(=C(C=C2)F)C(F)F

DOS

IR

Vibrations