Geometry & MOs

Info

ID:	231652
PubChem CID:	87574385
Reduced:	S2N3O3F4H19C25 (1)
Stoich.:	A2B3C3D4E19F25 (1)
Weight, g/mol:	231.01062
ΔH_f, kcal/mol:	-178.24
Dipole, Da:	3.84
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl(trimethyl)azanium;bromate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1F)CNC(=O)/C=C\C2=C(N=C(C=C2)C(F)(F)F)SC3=CC=CC=C3)C#C

DOS

IR

Vibrations