Geometry & MOs

Info

ID:	13705
PubChem CID:	397068
Reduced:	S2N3O4F6C14H15 (1)
Stoich.:	A2B3C4D6E14F15 (1)
Weight, g/mol:	467.040817
ΔH_f, kcal/mol:	-380.64
Dipole, Da:	6.7
IP(EA), eV:	-8.59(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(dimethylamino)-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]penta-2,4-dienylidene]-1,1,1-trifluoromethanesulfonamide

Drug info:

PubChemData

Smile

CN(C)C=CC=C(C=NS(=O)(=O)C(F)(F)F)C1C=CN(C=C1)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations