Geometry & MOs

Info

ID:	229013
PubChem CID:	87566776
Reduced:	SN3O4F6H21C29 (1)
Stoich.:	AB3C4D6E21F29 (1)
Weight, g/mol:	290.031433
ΔH_f, kcal/mol:	-378.35
Dipole, Da:	9.48
IP(EA), eV:	-9.54(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]2C(=O)N(C(=O)N2CC3=CC=NC4=CC=CC=C34)C5=CC=C(C=C5)SC(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations