Geometry & MOs

Info

ID:	439410
PubChem CID:	135229184
Reduced:	O2S2F3N5C17H18 (1)
Stoich.:	A2B2C3D5E17F18 (1)
Weight, g/mol:	455.160281
ΔH_f, kcal/mol:	-144.76
Dipole, Da:	8.53
IP(EA), eV:	-9.42(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclohexyl-5-ethylsulfonyl-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)C2CC2)C3=NC4=C(N3C)N=CC(=C4)SC(F)(F)F

DOS

IR

Vibrations