Geometry & MOs

Info

ID:

440476

PubChem CID:

135230455

Reduced:

IO3S3N21H40C43 (1)

Stoich.:

AB3C3D21E40F43 (1)

Weight, g/mol:

505.224909

ΔHf, kcal/mol:

348.0

Dipole, Da:

14.11

IP(EA), eV:

 -8.9(-1.38)

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-[2-(2-hydroxyethyl)-4-methyl-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=C(C=C3)CCNC(=O)CSC4=NC5=C(N4C6=NN=NN6C)C=CC(=C5)C7=CN=C(C=C7)CSC8=NC9=C(N8C1=NN=NN1C)C=C(C=C9)I)N=C2SCC(=O)N1CCOCC1

DOS

IR

Vibrations