Geometry & MOs

Info

ID:

14643

PubChem CID:

416688

Reduced:

N2O5C13H13 (2)

Stoich.:

A2B5C13D13 (2)

Weight, g/mol:

554.164893

ΔHf, kcal/mol:

-339.16

Dipole, Da:

3.68

IP(EA), eV:

 -8.97(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[6-[[4-(carboxymethylcarbamoyl)anilino]methyl]-5-hydroxy-2-(hydroxymethyl)-4-oxopyran-3-yl]methylamino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCC(=O)O)NCC2=C(OC(=C(C2=O)O)CNC3=CC=C(C=C3)C(=O)NCC(=O)O)CO

DOS

IR

Vibrations