Geometry & MOs

Info

ID:	373253
PubChem CID:	131312270
Reduced:	SN3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	217.067369
ΔH_f, kcal/mol:	72.12
Dipole, Da:	4.29
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-1,3-benzothiazol-5-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

C1=CN=CC2=C1C=C(S2)C(CC#N)CN

DOS

IR

Vibrations