Geometry & MOs

Info

ID:	381713
PubChem CID:	134972524
Reduced:	SN2O5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	402.12198
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	2.4
IP(EA), eV:	-9.61(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodec-1-ynyl-fluoro-(4-methylphenyl)-lambda3-iodane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations