Geometry & MOs

Info

ID:	439473
PubChem CID:	135229247
Reduced:	SF3O3N5C17H18 (1)
Stoich.:	AB3C3D5E17F18 (1)
Weight, g/mol:	413.113331
ΔH_f, kcal/mol:	-184.59
Dipole, Da:	7.3
IP(EA), eV:	-9.37(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropyl-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)C2CC2)C3=NC4=C(N3C)N=CC(=C4)OC(F)(F)F

DOS

IR

Vibrations