Geometry & MOs

Info

ID:	86495
PubChem CID:	49886248
Reduced:	BrSF2N3O3C9H10 (1)
Stoich.:	ABC2D3E3F9G10 (1)
Weight, g/mol:	287.038097
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	3.78
IP(EA), eV:	-9.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(trifluoromethyl)anilino]acetic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC(=O)NN)C1=C(C=C(C=C1Br)F)F

DOS

IR

Vibrations