Geometry & MOs

Info

ID:	193925
PubChem CID:	78456802
Reduced:	ClSN3O3C15H21 (1)
Stoich.:	ABC3D3E15F21 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-88.17
Dipole, Da:	2.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753759
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate

Drug info:

PubChemData

Smile

CC1C[N+](=C2NCCN2S(=O)(=O)C3=CC=C(C=C3)Cl)CC(O1)C

DOS

IR

Vibrations