Geometry & MOs

Info

ID:	440427
PubChem CID:	135230404
Reduced:	SF2N2O2H10C12 (1)
Stoich.:	AB2C2D2E10F12 (1)
Weight, g/mol:	590.256543
ΔH_f, kcal/mol:	-121.89
Dipole, Da:	4.1
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-3-[5-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C(OC2=CC=CC=C2)(F)F

DOS

IR

Vibrations