Geometry & MOs

Info

ID:	447413
PubChem CID:	135282685
Reduced:	BrClN2O3C13H18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	555.11279
ΔH_f, kcal/mol:	-94.33
Dipole, Da:	4.94
IP(EA), eV:	-9.87(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1R)-5-acetyl-1-(4-chlorophenyl)-2-[1-(5-chloropyridin-2-yl)ethyl]-7-fluoro-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C)(C)N(C(=O)O)OC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations