Geometry & MOs

Info

ID:

440587

PubChem CID:

135230584

Reduced:

FO3N9C31H36 (1)

Stoich.:

AB3C9D31E36 (1)

Weight, g/mol:

593.219823

ΔHf, kcal/mol:

-7.71

Dipole, Da:

7.84

IP(EA), eV:

 -8.47(-0.73)

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-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CCCCC3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations