Geometry & MOs

Info

ID:

151124

PubChem CID:

53790822

Reduced:

N6O7H56C63 (1)

Stoich.:

A6B7C56D63 (1)

Weight, g/mol:

338.01214

ΔHf, kcal/mol:

32.43

Dipole, Da:

6.83

IP(EA), eV:

 -8.33(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-carboxy-2-(carboxymethoxy)acetyl]oxyethane-1,1,2-tricarboxylic acid

Drug info:

PubChemData

Smile

CCCCN(CCOC1=CC=C(C=C1)N2C(=C(C(=C2O)CC(C3=CC=CC=C3)C4=C(N(C(=C4CC(C)C5=CC=CC=C5)O)C6=CC=C(C=C6)O)O)C)O)C7=CC8=C(C=C7)N=C9C1=CC=CC=C1C(=C(C#N)[N+]#[C-])C=C9O8

DOS

IR

Vibrations