Geometry & MOs

Info

ID:

440381

PubChem CID:

135230340

Reduced:

FO5N7C33H40 (1)

Stoich.:

AB5C7D33E40 (1)

Weight, g/mol:

509.238667

ΔHf, kcal/mol:

-122.96

Dipole, Da:

10.49

IP(EA), eV:

 -8.89(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-5-[5-[[(4R,5S)-2-(2-methoxyethyl)-5-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(C1=C(N=CC(=C1)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC)C5=CC=CC=C5)OC)O

DOS

IR

Vibrations