Geometry & MOs

Info

ID:	439408
PubChem CID:	135229182
Reduced:	SO2F3N5C22H28 (1)
Stoich.:	AB2C3D5E22F28 (1)
Weight, g/mol:	523.147665
ΔH_f, kcal/mol:	-193.55
Dipole, Da:	10.42
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C2CCC(CC2)(C)C)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations