Geometry & MOs

Info

ID:	439475
PubChem CID:	135229249
Reduced:	SF3N5C17H18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	441.144631
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	10.77
IP(EA), eV:	-8.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropyl-5-ethylsulfonyl-1-propan-2-ylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CCSC1=C(N=C(N1C)C2CC2)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations