Geometry & MOs

Info

ID:

440573

PubChem CID:

135230570

Reduced:

FO3N7C28H30 (1)

Stoich.:

AB3C7D28E30 (1)

Weight, g/mol:

591.240559

ΔHf, kcal/mol:

-23.73

Dipole, Da:

9.35

IP(EA), eV:

 -9.17(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC)C5=CC=CC=C5

DOS

IR

Vibrations