Geometry & MOs

Info

ID:

440402

PubChem CID:

135230362

Reduced:

O3F4N8H28C30 (1)

Stoich.:

A3B4C8D28E30 (1)

Weight, g/mol:

547.234331

ΔHf, kcal/mol:

-113.49

Dipole, Da:

5.56

IP(EA), eV:

 -8.98(-1.27)

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-2-phenyl-5-(pyridin-3-ylmethoxy)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=C2)C=NN3C)C4=CC(=C(C=C4)F)F)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations