Geometry & MOs

Info

ID:	135744
PubChem CID:	51926131
Reduced:	ClOSN3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	324.093736
ΔH_f, kcal/mol:	32.49
Dipole, Da:	2.4
IP(EA), eV:	-8.67(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-4-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]thiadiazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@@H]2CCCN2CC3=C(SN=N3)Cl

DOS

IR

Vibrations