Geometry & MOs

Info

ID:

181941

PubChem CID:

76816766

Reduced:

O3C10H20 (1)

Stoich.:

A3B10C20 (1)

Weight, g/mol:

1045.656253

ΔHf, kcal/mol:

-171.33

Dipole, Da:

1.84

IP(EA), eV:

 -9.89(1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[5-[[5-[[2-(hexadecanoylamino)-3-methylbutanoyl]amino]-2-(1-hydroxyethyl)-7-methyl-4-oxooctanoyl]amino]-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-7-hydroxy-3-(methylcarbamoyl)-5-oxooctanoic acid

Drug info:

PubChemData

Smile

CCC1C(C(C(O1)C(C)(C)C)O)O

DOS

IR

Vibrations