Geometry & MOs

Info

ID:	250515
PubChem CID:	103097228
Reduced:	SN2O2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	-1.52
Dipole, Da:	3.64
IP(EA), eV:	-8.35(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations