Geometry & MOs

Info

ID:	229234
PubChem CID:	87567230
Reduced:	SF4O4H10C15 (1)
Stoich.:	AB4C4D10E15 (1)
Weight, g/mol:	334.092204
ΔH_f, kcal/mol:	-269.07
Dipole, Da:	7.33
IP(EA), eV:	-10.11(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-3-[[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

C=CC(C1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)S(=O)(=O)O)F)F

DOS

IR

Vibrations