Geometry & MOs

Info

ID:	244192
PubChem CID:	99319308
Reduced:	ClF2N2O4C22H23 (1)
Stoich.:	AB2C2D4E22F23 (1)
Weight, g/mol:	457.144927
ΔH_f, kcal/mol:	-214.45
Dipole, Da:	3.59
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)OC

DOS

IR

Vibrations