Geometry & MOs

Info

ID:	376041
PubChem CID:	134222041
Reduced:	ClNO2F4H22C27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	523.072897
ΔH_f, kcal/mol:	-212.87
Dipole, Da:	7.32
IP(EA), eV:	-9.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluoro-2-methylbutyl]phenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC=C(C=C2)CN(C)C(=O)C3=CC=CC=C3C=O)C(F)(F)F

DOS

IR

Vibrations