Geometry & MOs

Info

ID:	232638
PubChem CID:	87576583
Reduced:	N4H19C22 (2)
Stoich.:	A4B19C22 (2)
Weight, g/mol:	372.082148
ΔH_f, kcal/mol:	506.05
Dipole, Da:	12.55
IP(EA), eV:	-7.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(acetyloxymethoxymethyl)-2-(phosphonooxymethyl)propanedioate

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C=C4C=CC(=CC5=NC(=CC6=C(C(=C2N6C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C9=CC=[N+](C=C9)C)C=C5)N4

DOS

IR

Vibrations