Geometry & MOs

Info

ID:

1680

PubChem CID:

4869

Reduced:

N5O14C17H23 (1)

Stoich.:

A5B14C17D23 (1)

Weight, g/mol:

521.12415

ΔHf, kcal/mol:

-594.72

Dipole, Da:

6.86

IP(EA), eV:

 -10.03(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1C2C(C(C(O2)C(C(=O)O)NC(=O)C(C(C(COC(=O)N)O)O)N)O)O)C(=O)O

DOS

IR

Vibrations