Geometry & MOs

Info

ID:	17618
PubChem CID:	507943
Reduced:	FO3N7H24C27 (1)
Stoich.:	AB3C7D24E27 (1)
Weight, g/mol:	513.192466
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	3.87
IP(EA), eV:	-8.62(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-aminopyridin-3-yl)-3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indole-7-carboximidamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C(=NC5=C(N=CC=C5)N)N

DOS

IR

Vibrations