Geometry & MOs

Info

ID:	441498
PubChem CID:	135235420
Reduced:	SO2F3N6H21C24 (1)
Stoich.:	AB2C3D6E21F24 (1)
Weight, g/mol:	373.118416
ΔH_f, kcal/mol:	-86.0
Dipole, Da:	8.58
IP(EA), eV:	-9.62(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(ethylideneamino)-1-ethylsulfinyl-N-methyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethenamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C2=CC(=CC=C2)C3(CC3)C#N)C4=NC5=CC(=NC=C5N4C)C(F)(F)F

DOS

IR

Vibrations