Geometry & MOs

Info

ID:	230072
PubChem CID:	87570018
Reduced:	FSN2O4H7C9 (1)
Stoich.:	ABC2D4E7F9 (1)
Weight, g/mol:	303.9659
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	6.21
IP(EA), eV:	-9.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-(2,6-difluorophenyl)-2H-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=N/OS(=O)(=O)F)/C#N

DOS

IR

Vibrations