Geometry & MOs

Info

ID:	447463
PubChem CID:	135283053
Reduced:	BrN2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	530.117541
ΔH_f, kcal/mol:	-97.69
Dipole, Da:	5.51
IP(EA), eV:	-9.64(-0.97)
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-(2-hydroxypropan-2-yl)-3-(oxolan-2-yloxy)isoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1ON(C(=O)O)C(C)(C)CC(C)C)Br

DOS

IR

Vibrations