Geometry & MOs

Info

ID:	321580
PubChem CID:	126666639
Reduced:	SF4O4N6H24C25 (1)
Stoich.:	AB4C4D6E24F25 (1)
Weight, g/mol:	262.103003
ΔH_f, kcal/mol:	-281.04
Dipole, Da:	5.0
IP(EA), eV:	-8.73(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(2,2-difluoropropylamino)quinoline-6-carbonitrile

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C)C1=CC=CC=C1CNC2=C3C(=CC(=N2)C4=C(C(=CC(=C4)F)O)CC(F)(F)F)NN=C3C(=O)N

DOS

IR

Vibrations