Geometry & MOs

Info

ID:	13776
PubChem CID:	398032
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	21.76
Dipole, Da:	1.79
IP(EA), eV:	-8.07(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)propan-2-ylideneamino]-3-methyl-1,3-benzothiazol-2-imine

Drug info:

PubChemData

Smile

CC(=NN=C1N(C2=CC=CC=C2S1)C)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations