Geometry & MOs

Info

ID:	226310
PubChem CID:	87350396
Reduced:	NO2F3H7C13 (2)
Stoich.:	AB2C3D7E13 (2)
Weight, g/mol:	496.236208
ΔH_f, kcal/mol:	-384.69
Dipole, Da:	1.63
IP(EA), eV:	-10.49(-2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-oxo-1H-isoindol-2-yl]cyclopentyl] formate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CC5=CC=C(C=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations