Geometry & MOs

Info

ID:	441503
PubChem CID:	135235428
Reduced:	ClSO2F3N6H16C19 (1)
Stoich.:	ABC2D3E6F16G19 (1)
Weight, g/mol:	468.099158
ΔH_f, kcal/mol:	-129.28
Dipole, Da:	8.98
IP(EA), eV:	-9.57(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-ethylsulfonyl-2-(4-fluoropyridin-3-yl)-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C2=NC=C(C=C2)Cl)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations