Geometry & MOs

Info

ID:	182177
PubChem CID:	76856312
Reduced:	Cl2N2O3C20H20 (1)
Stoich.:	A2B2C3D20E20 (1)
Weight, g/mol:	405.96368
ΔH_f, kcal/mol:	-91.81
Dipole, Da:	5.77
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-(3-iodophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=C(C=C(C=C1)Cl)Cl)NC(=O)C=CC2=CC=C(C=C2)OC

DOS

IR

Vibrations