Geometry & MOs

Info

ID:	441502
PubChem CID:	135235425
Reduced:	SO2N8C24H28 (1)
Stoich.:	AB2C8D24E28 (1)
Weight, g/mol:	484.069607
ΔH_f, kcal/mol:	54.23
Dipole, Da:	2.79
IP(EA), eV:	-9.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN2C(S1)C(C2=O)NC(=O)CN3C=C(N=N3)CN(CC4=CC=CC=N4)CC5=CC=CC=N5)C

DOS

IR

Vibrations