Geometry & MOs

Info

ID:

223819

PubChem CID:

85335618

Reduced:

N9O9C23H37 (1)

Stoich.:

A9B9C23D37 (1)

Weight, g/mol:

584.32821

ΔHf, kcal/mol:

-393.29

Dipole, Da:

8.16

IP(EA), eV:

 -9.3(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[2-[2-[[1-[2-[[2-(2-aminopropanoylamino)acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]propanoylamino]hexanoic acid

Drug info:

PubChemData

Smile

C1=C(NC=N1)CC(C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations