Geometry & MOs

Info

ID:

440595

PubChem CID:

135230592

Reduced:

F3O3N6C29H35 (1)

Stoich.:

A3B3C6D29E35 (1)

Weight, g/mol:

554.281695

ΔHf, kcal/mol:

-149.08

Dipole, Da:

4.47

IP(EA), eV:

 -8.62(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4S,5R)-5-(3,4-difluorophenyl)-2-ethyl-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=C1OCC2CCN(CC2)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCF

DOS

IR

Vibrations