Geometry & MOs

Info

ID:	50687
PubChem CID:	12013264
Reduced:	NC17H17 (1)
Stoich.:	AB17C17 (1)
Weight, g/mol:	326.065989
ΔH_f, kcal/mol:	26.79
Dipole, Da:	1.85
IP(EA), eV:	-8.02(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylanilino)methyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C3=CC=CC=C3C4=C2CCCC4

DOS

IR

Vibrations