Geometry & MOs

Info

ID:	372382
PubChem CID:	131296705
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	217.067369
ΔH_f, kcal/mol:	17.6
Dipole, Da:	3.83
IP(EA), eV:	-9.65(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=C(O1)CC2=CN=CC=C2)N

DOS

IR

Vibrations