Geometry & MOs

Info

ID:	75626
PubChem CID:	48423758
Reduced:	FSN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-141.95
Dipole, Da:	2.26
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F

DOS

IR

Vibrations