Geometry & MOs

Info

ID:	33944
PubChem CID:	7888931
Reduced:	OSN4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	54.44
Dipole, Da:	4.87
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC=CC=C21)SC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations