Geometry & MOs

Info

ID:

26168

PubChem CID:

639788

Reduced:

SO7C19H24 (1)

Stoich.:

AB7C19D24 (1)

Weight, g/mol:

1063.474994

ΔHf, kcal/mol:

-293.02

Dipole, Da:

4.1

IP(EA), eV:

 -8.94(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]oxyethoxy]ethoxy]propanoic acid

Drug info:

PubChemData

Smile

CCS[C@H]1[C@@H]([C@H]([C@@H]2[C@@H](O1)CO[C@H](O2)C3=CC=CC=C3)OC(=O)C)OC(=O)C

DOS

IR

Vibrations