Geometry & MOs

Info

ID:	33943
PubChem CID:	7888922
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	-108.13
Dipole, Da:	6.37
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)COC(=O)C1=CNC2=CC=CC=C21

DOS

IR

Vibrations