Geometry & MOs

Info

ID:	33937
PubChem CID:	7888886
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	313.088498
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	4.86
IP(EA), eV:	-9.13(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)COC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations