Geometry & MOs

Info

ID:	44677
PubChem CID:	10505314
Reduced:	SF3O4N5H18C21 (1)
Stoich.:	AB3C4D5E18F21 (1)
Weight, g/mol:	493.130757
ΔH_f, kcal/mol:	-238.66
Dipole, Da:	2.27
IP(EA), eV:	-9.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(butylsulfamoyl)-4-methylphenyl]-1,10-phenanthroline-2,9-dicarboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)NC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations