Geometry & MOs

Info

ID:	249471
PubChem CID:	103089711
Reduced:	BrFNSCl2O2C13H15 (1)
Stoich.:	ABCDE2F2G13H15 (1)
Weight, g/mol:	404.90041
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	5.55
IP(EA), eV:	-9.54(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-4-(2,4-dichloro-3-fluorophenyl)sulfonylmorpholine

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)CCCBr

DOS

IR

Vibrations