Geometry & MOs

Info

ID:	232617
PubChem CID:	87576526
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	450.206719
ΔH_f, kcal/mol:	-74.55
Dipole, Da:	4.7
IP(EA), eV:	-9.54(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-fluoro-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=C(C=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)O

DOS

IR

Vibrations