Geometry & MOs

Info

ID:	427946
PubChem CID:	135165540
Reduced:	ClFSO2N4H18C23 (1)
Stoich.:	ABCD2E4F18G23 (1)
Weight, g/mol:	468.082303
ΔH_f, kcal/mol:	-17.54
Dipole, Da:	7.1
IP(EA), eV:	-8.68(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-chloro-7-fluoro-3-(4-prop-2-enoylpiperazin-1-yl)-2,1-benzothiazol-6-yl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCN(CC1)C2=C3C=C(C(=C(C3=NS2)F)C4=CC=CC5=C4NC(=O)C=C5)Cl

DOS

IR

Vibrations