Geometry & MOs

Info

ID:	441486
PubChem CID:	135235300
Reduced:	BrSO2F3N5C16H17 (1)
Stoich.:	ABC2D3E5F16G17 (1)
Weight, g/mol:	483.074358
ΔH_f, kcal/mol:	-174.98
Dipole, Da:	9.52
IP(EA), eV:	-9.63(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenyl)-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(C)C)Br)C2=NC3=CC(=NC=C3N2C)C(F)(F)F

DOS

IR

Vibrations