Geometry & MOs

Info

ID:	33983
PubChem CID:	7889126
Reduced:	ClS2N4H11C16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	129.84
Dipole, Da:	7.61
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=CS2)CSC3=NN=C4N3C=CC=C4)Cl

DOS

IR

Vibrations