Geometry & MOs

Info

ID:	38972
PubChem CID:	8138271
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	365.083413
ΔH_f, kcal/mol:	-97.22
Dipole, Da:	1.76
IP(EA), eV:	-8.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)NNC(=O)C2=CC=CN2)OC

DOS

IR

Vibrations