Geometry & MOs

Info

ID:	447443
PubChem CID:	135282928
Reduced:	NCl2O2C6H13 (1)
Stoich.:	AB2C2D6E13 (1)
Weight, g/mol:	527.117875
ΔH_f, kcal/mol:	-147.69
Dipole, Da:	2.0
IP(EA), eV:	-10.12(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-but-1-en-2-yl-3-(4-chlorophenyl)-2-[(5-chloropyrimidin-2-yl)methyl]-4-fluoro-3-(oxolan-3-yloxy)isoindol-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1)N.Cl.Cl

DOS

IR

Vibrations