Geometry & MOs

Info

ID:

440645

PubChem CID:

135230708

Reduced:

F3O3N7H26C27 (1)

Stoich.:

A3B3C7D26E27 (1)

Weight, g/mol:

573.249981

ΔHf, kcal/mol:

-96.66

Dipole, Da:

6.09

IP(EA), eV:

 -9.03(-0.84)

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-[5-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)OC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCF

DOS

IR

Vibrations