Geometry & MOs

Info

ID:	441496
PubChem CID:	135235414
Reduced:	SCl2O2F3N6H15C21 (1)
Stoich.:	AB2C2D3E6F15G21 (1)
Weight, g/mol:	415.128981
ΔH_f, kcal/mol:	-112.16
Dipole, Da:	7.81
IP(EA), eV:	-9.76(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethylsulfonyl-1-methyl-2-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=C(C(=C(C=C2)Cl)C#N)Cl)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations