Geometry & MOs

Info

ID:	380473
PubChem CID:	134970931
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	506.97151
ΔH_f, kcal/mol:	-186.56
Dipole, Da:	4.85
IP(EA), eV:	-9.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxyethoxy)ethyl 2-[4,7-bis(bromomethyl)-1,3-dioxoisoindol-2-yl]acetate

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCC(=O)C(=C1)[C@H]2C[C@@]([C@H](O2)CC/C(=C/[N+]#N)/[O-])(C)OC(=O)C

DOS

IR

Vibrations