Geometry & MOs

Info

ID:	434917
PubChem CID:	135175998
Reduced:	BrOF2N2H19C22 (1)
Stoich.:	ABC2D2E19F22 (1)
Weight, g/mol:	290.074343
ΔH_f, kcal/mol:	-44.66
Dipole, Da:	4.73
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylhexoxy)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

COCC(C1=CC=CC=C1)NC(C#N)C(C2=CC3=C(C=C2)C=C(C=C3)Br)(F)F

DOS

IR

Vibrations