Geometry & MOs

Info

ID:	68861
PubChem CID:	46509667
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	464.13184
ΔH_f, kcal/mol:	-181.02
Dipole, Da:	3.68
IP(EA), eV:	-9.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(1-phenylethylamino)propan-2-yl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)CCN3C(=O)C4(CCCCC4)NC3=O

DOS

IR

Vibrations