Geometry & MOs

Info

ID:	171555
PubChem CID:	75393786
Reduced:	O2F3N3C13H16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	248.063092
ΔH_f, kcal/mol:	-229.15
Dipole, Da:	1.7
IP(EA), eV:	-9.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylsulfamoylamino)-1-fluoro-3-(hydroxymethyl)benzene

Drug info:

PubChemData

Smile

C1CN(CCC1(C(F)(F)F)O)C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations