Geometry & MOs

Info

ID:	434890
PubChem CID:	135175925
Reduced:	O2N3C11H23 (1)
Stoich.:	A2B3C11D23 (1)
Weight, g/mol:	415.103373
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	3.8
IP(EA), eV:	-8.56(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-fluoro-6-(5-methyl-1H-indazol-4-yl)-3-[(2S)-2-methylpiperazin-1-yl]-2,1-benzothiazole

Drug info:

PubChemData

Smile

CCN(C)CC(=O)N(CC)CC(=O)N(C)C

DOS

IR

Vibrations