Geometry & MOs

Info

ID:

231827

PubChem CID:

87574733

Reduced:

NO4H23C28 (1)

Stoich.:

AB4C23D28 (1)

Weight, g/mol:

1134.820482

ΔHf, kcal/mol:

-33.32

Dipole, Da:

2.14

IP(EA), eV:

 -8.98(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S)-2-[[(2R)-3-[(2R)-1,2-di(hexadecanoyloxy)propan-2-yl]sulfanyl-2-(hexadecanoylamino)propanoyl]amino]propanoyl]amino]acetic acid;pyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@@H](C2=CC3=CC=CC=C3C=C2)[C@@](C=O)(N=C=O)OCC4=CC=CC=C4

DOS

IR

Vibrations