Geometry & MOs

Info

ID:	441485
PubChem CID:	135235299
Reduced:	SO2F3N5H18C20 (1)
Stoich.:	AB2C3D5E18F20 (1)
Weight, g/mol:	479.02384
ΔH_f, kcal/mol:	-131.77
Dipole, Da:	10.38
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-ethylsulfonyl-1-propan-2-ylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations