Geometry & MOs

Info

ID:	167971
PubChem CID:	74907564
Reduced:	SCl2N2O2H18C20 (1)
Stoich.:	AB2C2D2E18F20 (1)
Weight, g/mol:	415.099063
ΔH_f, kcal/mol:	-15.62
Dipole, Da:	3.72
IP(EA), eV:	-8.83(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-nitrophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide

Drug info:

PubChemData

Smile

CCOCCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C=CC3=CC=CC=C3Cl

DOS

IR

Vibrations