Geometry & MOs

Info

ID:

328079

PubChem CID:

126691985

Reduced:

N8O15C71H102 (1)

Stoich.:

A8B15C71D102 (1)

Weight, g/mol:

706.202617

ΔHf, kcal/mol:

-488.56

Dipole, Da:

10.9

IP(EA), eV:

 -9.0(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[(1E,3E,5E)-6-fluoro-3,5-bis(trifluoromethyl)hexa-1,3,5-trienyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O[C@@H]/4C[C@@H]5CC[C@H]([C@@](O5)(C(=O)C(=O)N6CCCC[C@H]6C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C4/C)C)C)OC)O)\C)C)C(C)C[C@H]7CC[C@H]([C@@H](C7)OC)O)O)C)N=C1C8=NON=C8N

DOS

IR

Vibrations