Geometry & MOs

Info

ID:	180751
PubChem CID:	76680351
Reduced:	BrN4O5H15C20 (1)
Stoich.:	AB4C5D15E20 (1)
Weight, g/mol:	418.116486
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	7.52
IP(EA), eV:	-9.18(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-carbaldehyde

Drug info:

PubChemData

Smile

COC1=C(C2=C(CN(C2=O)CC3(C(=O)NC(=O)N3)C4=CC5=C(O4)C=CC=N5)C=C1)Br

DOS

IR

Vibrations