Geometry & MOs

Info

ID:	376165
PubChem CID:	134222170
Reduced:	Cl2O2F3N3H18C22 (1)
Stoich.:	A2B2C3D3E18F22 (1)
Weight, g/mol:	501.111869
ΔH_f, kcal/mol:	-151.04
Dipole, Da:	7.05
IP(EA), eV:	-8.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-fluorophenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1CN2C1N(N=C2)C3=C(C=C(C=C3)/C=C/C(C4=CC(=CC(=C4)Cl)Cl)C(F)(F)F)C(=O)O

DOS

IR

Vibrations