Geometry & MOs

Info

ID:	135742
PubChem CID:	51924905
Reduced:	NSO6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	324.093736
ΔH_f, kcal/mol:	-197.88
Dipole, Da:	7.65
IP(EA), eV:	-8.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CC(=O)N(CC2=CC=CC=C2)[C@H]3CCS(=O)(=O)C3)OC)OC

DOS

IR

Vibrations