Geometry & MOs

Info

ID:	278187
PubChem CID:	103833933
Reduced:	BrSO3N4C12H19 (1)
Stoich.:	ABC3D4E12F19 (1)
Weight, g/mol:	313.059564
ΔH_f, kcal/mol:	-98.85
Dipole, Da:	5.33
IP(EA), eV:	-8.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)S(=O)(=O)C2=C(N=CC(=C2)Br)N)CCO

DOS

IR

Vibrations