Geometry & MOs

Info

ID:

440416

PubChem CID:

135230393

Reduced:

F2O4N8C31H32 (1)

Stoich.:

A2B4C8D31E32 (1)

Weight, g/mol:

652.256937

ΔHf, kcal/mol:

-71.16

Dipole, Da:

11.76

IP(EA), eV:

 -9.42(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-fluoroethoxy)-5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)C(=O)NC3CC3)F)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations