Geometry & MOs

Info

ID:	397758
PubChem CID:	135030691
Reduced:	BrNO8C22H26 (1)
Stoich.:	ABC8D22E26 (1)
Weight, g/mol:	706.03484
ΔH_f, kcal/mol:	-335.83
Dipole, Da:	4.0
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(NC2=C1C=C(C=C2)Br)C(C(=O)OCC)C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations