Geometry & MOs

Info

ID:	140033
PubChem CID:	52634956
Reduced:	FOSN3C18H24 (1)
Stoich.:	ABCD3E18F24 (1)
Weight, g/mol:	349.162412
ΔH_f, kcal/mol:	-39.64
Dipole, Da:	7.12
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-4-methyl-5-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylsulfanyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1OCCSC2=NN=C(N2C)C3=CC=CC=C3F

DOS

IR

Vibrations