Geometry & MOs

Info

ID:	228723
PubChem CID:	87565620
Reduced:	SF3N3O3C14H18 (1)
Stoich.:	AB3C3D3E14F18 (1)
Weight, g/mol:	251.109233
ΔH_f, kcal/mol:	-242.92
Dipole, Da:	10.36
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-3-[(1-methylimidazol-2-yl)methylidene]piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=NC=CN2C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations