Geometry & MOs

Info

ID:

170551

PubChem CID:

75250794

Reduced:

O2F3N6H21C27 (1)

Stoich.:

A2B3C6D21E27 (1)

Weight, g/mol:

769.313014

ΔHf, kcal/mol:

-56.46

Dipole, Da:

5.8

IP(EA), eV:

 -8.98(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[2-[2-[[2-acetamido-4-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-4-oxobutanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=CN3C2=NN=C3C4=CC=CC=N4)C(=O)NC(C)C5=C[N+](=C(C=C5)C(F)(F)F)[O-]

DOS

IR

Vibrations