Geometry & MOs

Info

ID:	135743
PubChem CID:	51926130
Reduced:	ClOSN3C15H19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	323.085911
ΔH_f, kcal/mol:	40.88
Dipole, Da:	13.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.795808
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@@H]2CCC[NH+]2CC3=C(SN=N3)Cl

DOS

IR

Vibrations