Geometry & MOs

Info

ID:	40241
PubChem CID:	8143797
Reduced:	OSN3C20H27 (1)
Stoich.:	ABC3D20E27 (1)
Weight, g/mol:	279.084161
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	3.13
IP(EA), eV:	-8.54(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@@H](C1)CCCN2CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

DOS

IR

Vibrations