Geometry & MOs

Info

ID:

15694

PubChem CID:

447410

Reduced:

N3O10H37C40 (1)

Stoich.:

A3B10C37D40 (1)

Weight, g/mol:

719.247894

ΔHf, kcal/mol:

-321.27

Dipole, Da:

9.71

IP(EA), eV:

 -9.21(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[(2S)-2-acetamido-3-[4-(2-carboxy-N-oxaloanilino)naphthalen-1-yl]propanoyl]amino]pentoxy]naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC=C(C2=CC=CC=C12)N(C3=CC=CC=C3C(=O)O)C(=O)C(=O)O)C(=O)NCCCCCOC4=CC5=CC=CC=C5C=C4C(=O)O

DOS

IR

Vibrations