Geometry & MOs

Info

ID:	155598
PubChem CID:	56366176
Reduced:	BrClN3O3C18H19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-119.89
Dipole, Da:	2.52
IP(EA), eV:	-9.19(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC(=O)NCC1=CC=NC=C1)OC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations