Geometry & MOs

Info

ID:	164731
PubChem CID:	74443997
Reduced:	SO2F3N6H17C18 (1)
Stoich.:	AB2C3D6E17F18 (1)
Weight, g/mol:	413.131519
ΔH_f, kcal/mol:	-128.67
Dipole, Da:	7.07
IP(EA), eV:	-9.5(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

DOS

IR

Vibrations