Geometry & MOs

Info

ID:	278208
PubChem CID:	103834099
Reduced:	SN2O3F4H8C10 (1)
Stoich.:	AB2C3D4E8F10 (1)
Weight, g/mol:	347.93911
ΔH_f, kcal/mol:	-266.83
Dipole, Da:	5.79
IP(EA), eV:	-10.73(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)S(=O)(=O)NCC(C(F)(F)F)O)C#N)F

DOS

IR

Vibrations