Geometry & MOs

Info

ID:

440569

PubChem CID:

135230566

Reduced:

FO5N7C31H32 (1)

Stoich.:

AB5C7D31E32 (1)

Weight, g/mol:

592.224574

ΔHf, kcal/mol:

-88.31

Dipole, Da:

10.55

IP(EA), eV:

 -8.58(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-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=CC3=C(C=C2)OCC(=O)N3C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations