Geometry & MOs

Info

ID:

440571

PubChem CID:

135230568

Reduced:

FO5N7C29H32 (1)

Stoich.:

AB5C7D29E32 (1)

Weight, g/mol:

643.303079

ΔHf, kcal/mol:

-80.36

Dipole, Da:

9.55

IP(EA), eV:

 -8.4(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridin-2-yl]pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations