Geometry & MOs

Info

ID:

338009

PubChem CID:

127258632

Reduced:

ClSN2O6C21H25 (1)

Stoich.:

ABC2D6E21F25 (1)

Weight, g/mol:

531.232913

ΔHf, kcal/mol:

-231.57

Dipole, Da:

7.66

IP(EA), eV:

 -9.39(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OCC1=C(C=C(C=C1)S(=O)(=O)NCCCl)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations