Geometry & MOs

Info

ID:	64972
PubChem CID:	29204274
Reduced:	FO2N3Cl4H10C17 (1)
Stoich.:	AB2C3D4E10F17 (1)
Weight, g/mol:	488.024345
ΔH_f, kcal/mol:	-38.64
Dipole, Da:	1.71
IP(EA), eV:	-9.54(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N'-(2,4,6-trichlorophenyl)hexanehydrazide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NNC3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations