Geometry & MOs

Info

ID:	275899
PubChem CID:	103818861
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	295.077933
ΔH_f, kcal/mol:	46.72
Dipole, Da:	3.22
IP(EA), eV:	-8.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,3-benzothiazol-6-ylamino)methyl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CNC2=CC3=C(C=C2)N=CS3)OC)C

DOS

IR

Vibrations