Geometry & MOs

Info

ID:

437411

PubChem CID:

135226272

Reduced:

F2O3N9C28H31 (1)

Stoich.:

A2B3C9D28E31 (1)

Weight, g/mol:

603.260545

ΔHf, kcal/mol:

-37.44

Dipole, Da:

7.92

IP(EA), eV:

 -8.51(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N(C)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(N=C5)F)F)CCOC

DOS

IR

Vibrations