Geometry & MOs

Info

ID:	73866
PubChem CID:	48420853
Reduced:	ClSO3N4C17H17 (1)
Stoich.:	ABC3D4E17F17 (1)
Weight, g/mol:	411.109817
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	6.71
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CC(=O)OC(CN2C=NC=N2)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations