Geometry & MOs

Info

ID:

148805

PubChem CID:

53788474

Reduced:

N3O5C21H35 (1)

Stoich.:

A3B5C21D35 (1)

Weight, g/mol:

730.466936

ΔHf, kcal/mol:

-239.05

Dipole, Da:

5.35

IP(EA), eV:

 -9.74(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-6-methyl-4-[[(2S)-2-[[(2S)-3-naphthalen-1-yl-2-(4-phenylbutanoylamino)propanoyl]amino]hexanoyl]amino]heptanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(C(=O)[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O)O

DOS

IR

Vibrations