Geometry & MOs

Info

ID:	397757
PubChem CID:	135030690
Reduced:	PO2H23C25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	511.08418
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	6.79
IP(EA), eV:	-8.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[5-bromo-2-(1,3-diethoxy-1,3-dioxopropan-2-yl)-1H-indol-3-yl]propanedioate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C2C1=CC(=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C)OC

DOS

IR

Vibrations