Geometry & MOs

Info

ID:	33930
PubChem CID:	7888846
Reduced:	N3O3H17C20 (1)
Stoich.:	A3B3C17D20 (1)
Weight, g/mol:	338.120132
ΔH_f, kcal/mol:	-28.38
Dipole, Da:	6.32
IP(EA), eV:	-9.07(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations