Geometry & MOs

Info

ID:

440549

PubChem CID:

135230546

Reduced:

F4O4N8C31H32 (1)

Stoich.:

A4B4C8D31E32 (1)

Weight, g/mol:

711.272922

ΔHf, kcal/mol:

-218.89

Dipole, Da:

8.09

IP(EA), eV:

 -9.6(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[5-[5-[[(4R,5S)-5-(2,6-difluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyrimidin-2-yl]azetidin-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NCC(F)(F)F)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