Geometry & MOs

Info

ID:	435176
PubChem CID:	135183324
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	427.103373
ΔH_f, kcal/mol:	-123.24
Dipole, Da:	4.13
IP(EA), eV:	-9.51(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-chloro-7-fluoro-3-(4-methylpiperazin-1-yl)-2,1-benzothiazol-6-yl]quinolin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CCCC(=O)NCCN

DOS

IR

Vibrations