Geometry & MOs

Info

ID:	228744
PubChem CID:	87565657
Reduced:	SN2F3O4C13H15 (1)
Stoich.:	AB2C3D4E13F15 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-285.42
Dipole, Da:	3.39
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-3-(1,3-oxazol-5-ylmethylidene)piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CN=CO2.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations