Geometry & MOs

Info

ID:

224499

PubChem CID:

85344022

Reduced:

N3O10H35C44 (1)

Stoich.:

A3B10C35D44 (1)

Weight, g/mol:

770.369754

ΔHf, kcal/mol:

-248.49

Dipole, Da:

9.06

IP(EA), eV:

 -9.42(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-benzyl 3-O,5-O-dimethyl 1-[4-[ditert-butyl(methyl)silyl]oxy-5-methyl-3-methylidene-6-phenylhexyl]-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2C3=CC=C(C=C3)CO)C4C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

DOS

IR

Vibrations