Geometry & MOs

Info

ID:

440601

PubChem CID:

135230604

Reduced:

FO4N10C31H33 (1)

Stoich.:

AB4C10D31E33 (1)

Weight, g/mol:

568.297345

ΔHf, kcal/mol:

-22.07

Dipole, Da:

9.9

IP(EA), eV:

 -9.16(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-propyl-1,2-oxazolidin-4-yl]-3-[4-methyl-5-[(1-methylpiperidin-4-yl)methoxy]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations