Geometry & MOs

Info

ID:

215323

PubChem CID:

85084546

Reduced:

F3N5O10C39H56 (1)

Stoich.:

A3B5C10D39E56 (1)

Weight, g/mol:

811.426862

ΔHf, kcal/mol:

-597.08

Dipole, Da:

3.82

IP(EA), eV:

 -9.29(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-(phenylcarbamoylamino)hexanoyl]amino]-4-oxo-4-[2-(2,4,6-trimethylphenyl)ethylamino]butanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC(=O)NC1C(OCC(C1OC2C(C(C(C(O2)CO)O)O)NC(=O)OCC3=CC=CC=C3)N=C(N)NC4=CC=CC(=C4)C(F)(F)F)CO

DOS

IR

Vibrations