Geometry & MOs

Info

ID:

320748

PubChem CID:

126663167

Reduced:

O2S2N3H27C34 (1)

Stoich.:

A2B2C3D27E34 (1)

Weight, g/mol:

581.377512

ΔHf, kcal/mol:

81.32

Dipole, Da:

1.24

IP(EA), eV:

 -8.48(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[1-hydroxy-6-[2-hydroxy-1-(1-hydroxy-4,4-dimethylpentan-2-yl)oxyethoxy]-4,4,6-trimethylheptan-2-yl]oxy-2-propan-2-yloxyethoxy]carbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)SC4=CC=C(C=C4)O)C5=CC=CC=C5)SC6=CC=C(C=C6)O

DOS

IR

Vibrations