Geometry & MOs

Info

ID:	33905
PubChem CID:	7888668
Reduced:	NSO5H13C16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	-145.74
Dipole, Da:	8.54
IP(EA), eV:	-9.32(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone

Drug info:

PubChemData

Smile

C1COC(=O)[C@@H]1OC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations