Geometry & MOs

Info

ID:

327997

PubChem CID:

126691663

Reduced:

NF2O2H11C12 (3)

Stoich.:

AB2C2D11E12 (3)

Weight, g/mol:

524.209341

ΔHf, kcal/mol:

-448.12

Dipole, Da:

9.94

IP(EA), eV:

 -8.99(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-prop-1-en-2-yl-1,3-oxazolidin-3-yl]methyl]-6-(propylamino)pyridin-3-yl]phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CC(C3)(F)F)C4=C(C=C(C(=C4)C5=C(C=C(C=C5)C(=O)O)C)F)OC)C(=C)/C=C\C=C(/C)\OC(F)(F)F

DOS

IR

Vibrations