Geometry & MOs

Info

ID:

440541

PubChem CID:

135230532

Reduced:

FO4N8C32H35 (1)

Stoich.:

AB4C8D32E35 (1)

Weight, g/mol:

674.297659

ΔHf, kcal/mol:

-38.97

Dipole, Da:

5.3

IP(EA), eV:

 -9.47(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NC2CC2)C3=NN(C(=C3C)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC)C6=CC=CC=C6

DOS

IR

Vibrations