Geometry & MOs

Info

ID:

83052

PubChem CID:

49857069

Reduced:

O8C21H26 (1)

Stoich.:

A8B21C26 (1)

Weight, g/mol:

467.215532

ΔHf, kcal/mol:

-325.24

Dipole, Da:

4.76

IP(EA), eV:

 -9.74(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,4aR,6S,7S,8R,8aR)-7-hydroxy-6-methoxy-6-[2-[methoxy(methyl)amino]-2-oxoethyl]-2-phenyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[C@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@@]4([C@H]1OC(=O)C4)OC

DOS

IR

Vibrations