Geometry & MOs

Info

ID:	217139
PubChem CID:	85087313
Reduced:	ClO2F3N3C13H13 (1)
Stoich.:	AB2C3D3E13F13 (1)
Weight, g/mol:	335.085911
ΔH_f, kcal/mol:	-202.31
Dipole, Da:	7.92
IP(EA), eV:	-9.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-chlorophenyl)ethenyl]-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1COCCN1C(=NC(=O)Cl)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations