Geometry & MOs

Info

ID:	329768
PubChem CID:	127246635
Reduced:	SF2O2N3C15H15 (1)
Stoich.:	AB2C2D3E15F15 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-113.47
Dipole, Da:	5.27
IP(EA), eV:	-9.83(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1,2-oxazol-5-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)S(=O)(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations