Geometry & MOs

Info

ID:	325394
PubChem CID:	126683053
Reduced:	OSF3N4H13C15 (1)
Stoich.:	ABC3D4E13F15 (1)
Weight, g/mol:	338.081302
ΔH_f, kcal/mol:	-102.72
Dipole, Da:	5.55
IP(EA), eV:	-8.43(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-2-[3-methylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=N1)N(C(=N2)C3=C(C=C(C=N3)C(F)(F)F)S(=O)C)C

DOS

IR

Vibrations