Geometry & MOs

Info

ID:	372383
PubChem CID:	131296731
Reduced:	SN3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	217.067369
ΔH_f, kcal/mol:	62.91
Dipole, Da:	5.62
IP(EA), eV:	-8.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(propan-2-ylamino)-1,2-benzothiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)NC1=NC2=C(C=CC=C2S1)C#N

DOS

IR

Vibrations