Geometry & MOs

Info

ID:	440435
PubChem CID:	135230412
Reduced:	SF2N7H11C15 (1)
Stoich.:	AB2C7D11E15 (1)
Weight, g/mol:	571.1955
ΔH_f, kcal/mol:	84.08
Dipole, Da:	6.86
IP(EA), eV:	-9.38(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C(=CC(=C3)F)F)N=C2SCC4=CC=CC=N4

DOS

IR

Vibrations