Geometry & MOs

Info

ID:	217870
PubChem CID:	85088517
Reduced:	BrNSO7C13H14 (1)
Stoich.:	ABCD7E13F14 (1)
Weight, g/mol:	408.02561
ΔH_f, kcal/mol:	-188.09
Dipole, Da:	7.37
IP(EA), eV:	-9.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-iodooct-7-enyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC(=O)C1=[N+](OC(C1C2=CC=C(C=C2)Br)COS(=O)(=O)C)[O-]

DOS

IR

Vibrations