Geometry & MOs

Info

ID:	167965
PubChem CID:	74906460
Reduced:	ClIO2N3H23C26 (1)
Stoich.:	ABC2D3E23F26 (1)
Weight, g/mol:	471.138341
ΔH_f, kcal/mol:	23.56
Dipole, Da:	5.08
IP(EA), eV:	-8.54(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3I)Cl)C(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations