Geometry & MOs

Info

ID:	36407
PubChem CID:	8005934
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	410.087118
ΔH_f, kcal/mol:	-142.47
Dipole, Da:	3.86
IP(EA), eV:	-8.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)C2=CC=CN2)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations