Geometry & MOs

Info

ID:	403460
PubChem CID:	135060343
Reduced:	ClIN2O4H26C30 (1)
Stoich.:	ABC2D4E26F30 (1)
Weight, g/mol:	268.062995
ΔH_f, kcal/mol:	-69.52
Dipole, Da:	5.43
IP(EA), eV:	-8.36(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)-1,3-dithietan-2-ylidene]piperidin-1-ium

Drug info:

PubChemData

Smile

CCOC(=O)N1C2=C(C=C(C=C2)C)C3=C1N(C(=C(C3C4=CC=C(C=C4)Cl)I)C5=CC=CC=C5)C(=O)OCC

DOS

IR

Vibrations