Geometry & MOs

Info

ID:	227961
PubChem CID:	87563132
Reduced:	BrNSF3H3O3C7 (1)
Stoich.:	ABCD3E3F3G7 (1)
Weight, g/mol:	260.903227
ΔH_f, kcal/mol:	-234.67
Dipole, Da:	5.91
IP(EA), eV:	-10.03(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=C(SC(=C1NC(=O)C(F)(F)F)C(=O)O)Br

DOS

IR

Vibrations