Geometry & MOs

Info

ID:

84287

PubChem CID:

49865249

Reduced:

N2O9H20C21 (1)

Stoich.:

A2B9C20D21 (1)

Weight, g/mol:

582.232579

ΔHf, kcal/mol:

-273.01

Dipole, Da:

5.91

IP(EA), eV:

 -9.71(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxo-5-[(2-oxo-3H-indol-1-yl)oxy]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)CON2C(=O)C3C4C=CC(C3C2=O)O4

DOS

IR

Vibrations