Geometry & MOs

Info

ID:

437456

PubChem CID:

135226319

Reduced:

FO4N8C31H31 (1)

Stoich.:

AB4C8D31E31 (1)

Weight, g/mol:

547.234331

ΔHf, kcal/mol:

-35.27

Dipole, Da:

12.11

IP(EA), eV:

 -8.84(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=C2)C=CC(=O)N3C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations