Geometry & MOs

Info

ID:

45007

PubChem CID:

10507130

Reduced:

N4O6C31H38 (1)

Stoich.:

A4B6C31D38 (1)

Weight, g/mol:

562.211769

ΔHf, kcal/mol:

-241.18

Dipole, Da:

2.46

IP(EA), eV:

 -8.2(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2E,4R,5S,8R,9R,12S,13R,14E)-5,12-dihydroxy-4,13-bis(methoxymethoxy)-9-methylsulfonyloxyhexadeca-2,14-dien-8-yl] methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)NC[C@H]3CCC(=O)N3[C@@H](CC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations