Geometry & MOs

Info

ID:	234458
PubChem CID:	92298472
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	251.028396
ΔH_f, kcal/mol:	-131.03
Dipole, Da:	4.76
IP(EA), eV:	-9.31(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-(4-chlorophenyl)-6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]([C@@H]([C@@H](O1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations