Geometry & MOs

Info

ID:	275897
PubChem CID:	103818847
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	284.061949
ΔH_f, kcal/mol:	49.12
Dipole, Da:	4.46
IP(EA), eV:	-8.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CNC3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations