Geometry & MOs

Info

ID:	434859
PubChem CID:	135175852
Reduced:	ClSN6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	397.0331
ΔH_f, kcal/mol:	118.22
Dipole, Da:	7.49
IP(EA), eV:	-8.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(5-chloro-7-fluoro-3-piperazin-1-yl-2,1-benzothiazol-6-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1CNCCN1C2=C3C=C(C(=NC3=NS2)C4=C(C=CC5=C4C=NN5)C)Cl

DOS

IR

Vibrations