Geometry & MOs

Info

ID:	367151
PubChem CID:	127323567
Reduced:	ClO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	346.121195
ΔH_f, kcal/mol:	-36.08
Dipole, Da:	2.08
IP(EA), eV:	-9.22(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations