Geometry & MOs

Info

ID:

440637

PubChem CID:

135230669

Reduced:

FO5N8C24H29 (1)

Stoich.:

AB5C8D24E29 (1)

Weight, g/mol:

752.27521

ΔHf, kcal/mol:

-115.61

Dipole, Da:

4.84

IP(EA), eV:

 -8.96(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,1-dioxothian-4-yl)-5-[5-[[(4R,5S)-5-(5-fluoro-6-methoxypyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(N=CC(=C1)C2=NN(C(=C2)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC)C)OC

DOS

IR

Vibrations