Geometry & MOs

Info

ID:	156525
PubChem CID:	56371000
Reduced:	FS2N3O3C16H16 (1)
Stoich.:	AB2C3D3E16F16 (1)
Weight, g/mol:	418.215095
ΔH_f, kcal/mol:	-68.27
Dipole, Da:	1.88
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-5-[1-[[5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CN(N=C1)CCS(=O)(=O)CC2=CSC(=N2)COC3=CC=C(C=C3)F

DOS

IR

Vibrations