Geometry & MOs

Info

ID:

440384

PubChem CID:

135230343

Reduced:

FO3N8C37H39 (1)

Stoich.:

AB3C8D37E39 (1)

Weight, g/mol:

555.260545

ΔHf, kcal/mol:

17.89

Dipole, Da:

9.07

IP(EA), eV:

 -8.89(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(CCN(C3)CC4=CC=CC=C4)N=C2)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations