Geometry & MOs

Info

ID:	33933
PubChem CID:	7888862
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	-79.22
Dipole, Da:	6.17
IP(EA), eV:	-8.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-ethylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations