Geometry & MOs

Info

ID:	180079
PubChem CID:	76573428
Reduced:	N4O7C17H22 (1)
Stoich.:	A4B7C17D22 (1)
Weight, g/mol:	390.132805
ΔH_f, kcal/mol:	-257.77
Dipole, Da:	3.7
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-methylpyridin-3-yl)ethynyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C1=CN(C2=NC=NC(=C12)N)C3C(C(C(O3)CO)O)(C)O)O

DOS

IR

Vibrations