Geometry & MOs

Info

ID:

215334

PubChem CID:

85084560

Reduced:

O11C49H52 (1)

Stoich.:

A11B49C52 (1)

Weight, g/mol:

816.417025

ΔHf, kcal/mol:

-257.33

Dipole, Da:

6.07

IP(EA), eV:

 -9.27(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(C(OC1OCC2C(C(C3C(O2)O3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations