Geometry & MOs

Info

ID:	156604
PubChem CID:	56371313
Reduced:	ClF2O2N3H14C18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	488.101811
ΔH_f, kcal/mol:	-97.48
Dipole, Da:	6.39
IP(EA), eV:	-9.19(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)N2C=CN=C2)Cl)OC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations