Geometry & MOs

Info

ID:	73742
PubChem CID:	48420290
Reduced:	SO3N4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	367.108068
ΔH_f, kcal/mol:	-43.98
Dipole, Da:	8.08
IP(EA), eV:	-9.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations