Geometry & MOs

Info

ID:	237377
PubChem CID:	92718956
Reduced:	O2S2N3C18H19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	278.120132
ΔH_f, kcal/mol:	10.46
Dipole, Da:	3.23
IP(EA), eV:	-9.19(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-3-thione

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CS3

DOS

IR

Vibrations