Geometry & MOs

Info

ID:

437488

PubChem CID:

135226413

Reduced:

F2O5N9C39H41 (1)

Stoich.:

A2B5C9D39E41 (1)

Weight, g/mol:

585.224829

ΔHf, kcal/mol:

-111.98

Dipole, Da:

9.77

IP(EA), eV:

 -8.69(-0.73)

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-[2-(1,2-oxazol-4-yl)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=C(C=C7)F)F)CCOC

DOS

IR

Vibrations