Geometry & MOs

Info

ID:

176263

PubChem CID:

76021133

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

1071.246126

ΔHf, kcal/mol:

-175.94

Dipole, Da:

7.58

IP(EA), eV:

 -8.81(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-acetyloxy-2-[5-hydroxy-2-(4-methoxyphenoxy)-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-(1,2,3-triacetyloxypropyl)-5-(2,2,2-trichloroethoxycarbonylamino)oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C(=O)N)NC4CC5CN(CC5C4)C(=O)OC(C)(C)C

DOS

IR

Vibrations