Geometry & MOs

Info

ID:	159346
PubChem CID:	57269650
Reduced:	O2N3H6C11 (2)
Stoich.:	A2B3C6D11 (2)
Weight, g/mol:	342.107969
ΔH_f, kcal/mol:	156.26
Dipole, Da:	8.21
IP(EA), eV:	-8.97(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,2,3,4-tetraethoxy-1,4-dioxobutan-2-yl)phosphonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C3=C4C5=C6C(=C3N6C(=O)N5C7=CC=CC(=C7)C(=O)N)N4C2=O)C(=O)N

DOS

IR

Vibrations