Geometry & MOs

Info

ID:	367150
PubChem CID:	127323543
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	-34.0
Dipole, Da:	5.67
IP(EA), eV:	-8.27(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)SC

DOS

IR

Vibrations