Geometry & MOs

Info

ID:

437420

PubChem CID:

135226282

Reduced:

F2O3N7H29C31 (1)

Stoich.:

A2B3C7D29E31 (1)

Weight, g/mol:

571.245564

ΔHf, kcal/mol:

-31.45

Dipole, Da:

7.53

IP(EA), eV:

 -9.19(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(C=CC=N3)N=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations