Geometry & MOs

Info

ID:

380541

PubChem CID:

134971022

Reduced:

O3N4C22H24 (1)

Stoich.:

A3B4C22D24 (1)

Weight, g/mol:

650.171636

ΔHf, kcal/mol:

-65.37

Dipole, Da:

3.72

IP(EA), eV:

 -9.22(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-3-[[(2S)-3-[[(1S)-1-carboxyethyl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations