Geometry & MOs

Info

ID:	141188
PubChem CID:	52834320
Reduced:	ClSN2O2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-11.72
Dipole, Da:	1.68
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-dimethylphenoxy)methyl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CSCCC1NC(=O)C2=CC(=NO2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations