Geometry & MOs

Info

ID:

437447

PubChem CID:

135226310

Reduced:

FO5N8C28H29 (1)

Stoich.:

AB5C8D28E29 (1)

Weight, g/mol:

594.215072

ΔHf, kcal/mol:

-5.74

Dipole, Da:

8.62

IP(EA), eV:

 -7.49(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[3-[[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-2-phenyl-1H-pyrazol-5-ylidene]-N-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC\1=C(N(N/C1=C\2/C=CNC(=C2)C(=O)N=O)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations