Geometry & MOs

Info

ID:	403332
PubChem CID:	135059768
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	266.067331
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	4.06
IP(EA), eV:	-8.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(4-methoxyphenyl)-1,3-dithietan-2-ylidene]pyrrolidin-1-ium

Drug info:

PubChemData

Smile

CS/C(=C/1\CCCCC1=O)/C2C3=CC=CC=C3NC2=O

DOS

IR

Vibrations