Geometry & MOs

Info

ID:

339988

PubChem CID:

127261997

Reduced:

IO3N4C25H33 (1)

Stoich.:

AB3C4D25E33 (1)

Weight, g/mol:

564.15974

ΔHf, kcal/mol:

-98.09

Dipole, Da:

5.32

IP(EA), eV:

 -9.26(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(CC1=CC=CC=C1I)[C@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@@H](CC(C)C)N

DOS

IR

Vibrations