Geometry & MOs

Info

ID:	138337
PubChem CID:	52351040
Reduced:	SCl2N2O2H16C17 (1)
Stoich.:	AB2C2D2E16F17 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-62.34
Dipole, Da:	4.91
IP(EA), eV:	-9.19(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC=CC=C2SCC(=O)N

DOS

IR

Vibrations