Geometry & MOs

Info

ID:	124420
PubChem CID:	50882764
Reduced:	ClOSN5C24H24 (1)
Stoich.:	ABCD5E24F24 (1)
Weight, g/mol:	367.123359
ΔH_f, kcal/mol:	54.83
Dipole, Da:	5.6
IP(EA), eV:	-8.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-chloro-2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCN(CC2)C3=C(C=CC4=C3N=C(S4)N5C(=CC(=N5)C)C)Cl

DOS

IR

Vibrations