Geometry & MOs

Info

ID:	33920
PubChem CID:	7888747
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	322.088832
ΔH_f, kcal/mol:	-123.54
Dipole, Da:	2.83
IP(EA), eV:	-9.03(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CS2

DOS

IR

Vibrations