Geometry & MOs

Info

ID:	282566
PubChem CID:	103931214
Reduced:	BrFNO2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	319.100892
ΔH_f, kcal/mol:	-117.6
Dipole, Da:	2.28
IP(EA), eV:	-8.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloroethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NCCOCCO)Br

DOS

IR

Vibrations