Geometry & MOs

Info

ID:	397759
PubChem CID:	135030692
Reduced:	BrNO4C15H15 (2)
Stoich.:	ABC4D15E15 (2)
Weight, g/mol:	511.08418
ΔH_f, kcal/mol:	-289.85
Dipole, Da:	4.09
IP(EA), eV:	-8.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[7-bromo-2-(1,3-diethoxy-1,3-dioxopropan-2-yl)-1H-indol-4-yl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C2=C(N1)C=CC=C2Br)C3=C(NC4=C3C(=CC=C4)Br)C(C(=O)OCC)C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations