Geometry & MOs

Info

ID:	68847
PubChem CID:	46509353
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	488.076611
ΔH_f, kcal/mol:	-23.72
Dipole, Da:	1.93
IP(EA), eV:	-9.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)N(CC4=CC=CC=C4)C(C)C)C

DOS

IR

Vibrations