Geometry & MOs

Info

ID:	204417
PubChem CID:	79962898
Reduced:	BrO2S2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	299.054004
ΔH_f, kcal/mol:	-63.76
Dipole, Da:	2.9
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-difluoro-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

C1CSCC(O1)C(CC2=CC=C(S2)Br)O

DOS

IR

Vibrations