Geometry & MOs

Info

ID:	204405
PubChem CID:	79960559
Reduced:	SF2N2O2H10C14 (1)
Stoich.:	AB2C2D2E10F14 (1)
Weight, g/mol:	308.043105
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	3.4
IP(EA), eV:	-8.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-difluorophenyl)sulfinylmethyl]-1,3-benzoxazol-5-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)N=C(O2)CS(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations