Geometry & MOs

Info

ID:	40908
PubChem CID:	8144940
Reduced:	S2O3N4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	-56.41
Dipole, Da:	3.65
IP(EA), eV:	-8.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations