Geometry & MOs

Info

ID:	129662
PubChem CID:	51073493
Reduced:	O2S2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	331.099063
ΔH_f, kcal/mol:	18.81
Dipole, Da:	2.87
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)SCC(COCC3=CC=CS3)O

DOS

IR

Vibrations