Geometry & MOs

Info

ID:	33962
PubChem CID:	7889027
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	336.984338
ΔH_f, kcal/mol:	-138.97
Dipole, Da:	6.38
IP(EA), eV:	-9.19(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations