Geometry & MOs

Info

ID:

340123

PubChem CID:

127262132

Reduced:

N7O8C29H37 (1)

Stoich.:

A7B8C29D37 (1)

Weight, g/mol:

564.15974

ΔHf, kcal/mol:

-211.2

Dipole, Da:

3.97

IP(EA), eV:

 -9.38(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-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

COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations