Geometry & MOs

Info

ID:	59826
PubChem CID:	24898746
Reduced:	BrClSN3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	468.157324
ΔH_f, kcal/mol:	67.24
Dipole, Da:	4.76
IP(EA), eV:	-8.76(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=NN2C(=C1)C(C)C)C)C3=C(C=C(S3)Br)Cl

DOS

IR

Vibrations