Geometry & MOs

Info

ID:	167973
PubChem CID:	74907633
Reduced:	ClON2S2H15C18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	393.976811
ΔH_f, kcal/mol:	46.59
Dipole, Da:	3.06
IP(EA), eV:	-8.67(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N(C(=NC(=O)C=CC3=CC=CS3)S2)CC=C)Cl

DOS

IR

Vibrations