Geometry & MOs

Info

ID:

440564

PubChem CID:

135230561

Reduced:

FO3N9C32H36 (1)

Stoich.:

AB3C9D32E36 (1)

Weight, g/mol:

692.288237

ΔHf, kcal/mol:

9.1

Dipole, Da:

13.53

IP(EA), eV:

 -8.66(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-(4-fluorophenyl)-5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)C3=CCN(CC3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations