Geometry & MOs

Info

ID:	307818
PubChem CID:	125309548
Reduced:	FN2O10C30H37 (1)
Stoich.:	AB2C10D30E37 (1)
Weight, g/mol:	146.014999
ΔH_f, kcal/mol:	-378.74
Dipole, Da:	8.67
IP(EA), eV:	-8.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-1,3a,5,6-tetrahydro-[1,3]thiazolo[3,2-c]oxadiazol-3-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O

DOS

IR

Vibrations