Geometry & MOs

Info

ID:	294227
PubChem CID:	117438501
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	6.98
IP(EA), eV:	-8.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-propan-2-yl-1,3-benzothiazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=C3CCCSC3=CC=C2

DOS

IR

Vibrations