Geometry & MOs

Info

ID:	42478
PubChem CID:	8149602
Reduced:	FSN2O4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	402.104956
ΔH_f, kcal/mol:	-134.68
Dipole, Da:	8.43
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-1,3-oxazol-5-amine

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC2=C(N=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations