Geometry & MOs

Info

ID:	56549
PubChem CID:	17436228
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	347.060759
ΔH_f, kcal/mol:	-42.35
Dipole, Da:	4.99
IP(EA), eV:	-9.33(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC=CNC2=O

DOS

IR

Vibrations