Geometry & MOs

Info

ID:	38974
PubChem CID:	8138275
Reduced:	BrSO2N3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	365.083413
ΔH_f, kcal/mol:	-8.56
Dipole, Da:	2.28
IP(EA), eV:	-9.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CSC2=CC=C(C=C2)Br

DOS

IR

Vibrations