Geometry & MOs

Info

ID:

440566

PubChem CID:

135230563

Reduced:

FO4N7C28H30 (1)

Stoich.:

AB4C7D28E30 (1)

Weight, g/mol:

580.235808

ΔHf, kcal/mol:

-47.85

Dipole, Da:

8.46

IP(EA), eV:

 -8.82(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-[2-(methoxymethyl)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations