Geometry & MOs

Info

ID:	229498
PubChem CID:	87567855
Reduced:	NO3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	467.090425
ΔH_f, kcal/mol:	-173.27
Dipole, Da:	1.45
IP(EA), eV:	-9.47(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-(thiadiazol-4-ylmethylidene)piperidin-4-yl] ethanethioate;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)CC(=O)N1CCOCC1

DOS

IR

Vibrations