Geometry & MOs

Info

ID:	33637
PubChem CID:	7887297
Reduced:	N3O3S3C16H21 (1)
Stoich.:	A3B3C3D16E21 (1)
Weight, g/mol:	336.056863
ΔH_f, kcal/mol:	-95.89
Dipole, Da:	3.34
IP(EA), eV:	-8.76(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCN([C@@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C(=C(S3)C)C

DOS

IR

Vibrations