Geometry & MOs

Info

ID:

440374

PubChem CID:

135230333

Reduced:

FO4N9C29H30 (1)

Stoich.:

AB4C9D29E30 (1)

Weight, g/mol:

605.276195

ΔHf, kcal/mol:

-36.6

Dipole, Da:

10.96

IP(EA), eV:

 -8.72(-0.9)

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-[5-(2-hydroxypropan-2-yl)-6-methoxypyridin-3-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations