Geometry & MOs

Info

ID:	38977
PubChem CID:	8138280
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	397.073242
ΔH_f, kcal/mol:	-86.77
Dipole, Da:	2.7
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)SCC(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations