Geometry & MOs

Info

ID:	68897
PubChem CID:	46511425
Reduced:	ClFN2O4H18C20 (1)
Stoich.:	ABC2D4E18F20 (1)
Weight, g/mol:	396.111007
ΔH_f, kcal/mol:	-116.14
Dipole, Da:	2.47
IP(EA), eV:	-9.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-cyanophenyl)phenyl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)F

DOS

IR

Vibrations