Geometry & MOs

Info

ID:	440624
PubChem CID:	135230640
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	549.229994
ΔH_f, kcal/mol:	44.28
Dipole, Da:	6.16
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, 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-[4-methyl-5-(2-methylpyrimidin-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CNCC1=NN(C(=C1)OCC2=CC=CC=C2C#N)CC3CCCC3

DOS

IR

Vibrations