Geometry & MOs

Info

ID:	33912
PubChem CID:	7888705
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	323.109233
ΔH_f, kcal/mol:	-126.14
Dipole, Da:	7.34
IP(EA), eV:	-9.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations