Geometry & MOs

Info

ID:

219073

PubChem CID:

85090449

Reduced:

N5O6C28H45 (1)

Stoich.:

A5B6C28D45 (1)

Weight, g/mol:

547.315855

ΔHf, kcal/mol:

-317.46

Dipole, Da:

4.81

IP(EA), eV:

 -9.77(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[[1-anilino-5-(1-azabicyclo[2.2.2]octan-3-ylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC

DOS

IR

Vibrations