Geometry & MOs

Info

ID:	28758
PubChem CID:	829386
Reduced:	N2O2Cl3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	333.08235
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	2.66
IP(EA), eV:	-9.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1(CC(=O)C(=NNC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)C1)C

DOS

IR

Vibrations