Geometry & MOs

Info

ID:	69114
PubChem CID:	46518921
Reduced:	OSN2C7H7 (2)
Stoich.:	ABC2D7E7 (2)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	43.74
Dipole, Da:	3.18
IP(EA), eV:	-9.07(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=CC=C2)SC3=NN=C(O3)CSC

DOS

IR

Vibrations