Geometry & MOs

Info

ID:	299871
PubChem CID:	117777027
Reduced:	FSO3N4C12H19 (1)
Stoich.:	ABC3D4E12F19 (1)
Weight, g/mol:	381.83132
ΔH_f, kcal/mol:	-125.62
Dipole, Da:	7.63
IP(EA), eV:	-9.03(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-iodo-6-(trifluoromethoxy)phenol

Drug info:

PubChemData

Smile

C1C[C@H](N2C[C@@H]1N(C2=O)OS)C(=O)N[C@H]3CCNC[C@@H]3F

DOS

IR

Vibrations