Geometry & MOs

Info

ID:	441487
PubChem CID:	135235301
Reduced:	ClSO2F3N5H17C20 (1)
Stoich.:	ABC2D3E5F17G20 (1)
Weight, g/mol:	399.09768
ΔH_f, kcal/mol:	-141.4
Dipole, Da:	8.48
IP(EA), eV:	-9.63(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethenyl-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)C2=CC=C(C=C2)Cl)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations