Geometry & MOs

Info

ID:

340139

PubChem CID:

127262148

Reduced:

N6O6C25H30 (1)

Stoich.:

A6B6C25D30 (1)

Weight, g/mol:

564.15974

ΔHf, kcal/mol:

-130.83

Dipole, Da:

4.9

IP(EA), eV:

 -9.39(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[(2-iodophenyl)methyl]amino]-1-oxopropan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CC3=CC=CC=C3)C(=O)N)N

DOS

IR

Vibrations