Geometry & MOs

Info

ID:

326586

PubChem CID:

126687830

Reduced:

N2O5C20H28 (1)

Stoich.:

A2B5C20D28 (1)

Weight, g/mol:

1063.620536

ΔHf, kcal/mol:

-221.27

Dipole, Da:

2.06

IP(EA), eV:

 -9.59(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S)-2-[[(2S)-3-[3-[5-[(1S)-1-[[2-[[(2R)-2-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]-methylamino]-2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-methylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations