Geometry & MOs

Info

ID:	68849
PubChem CID:	46509407
Reduced:	FSN5O5H16C22 (1)
Stoich.:	ABC5D5E16F22 (1)
Weight, g/mol:	416.094312
ΔH_f, kcal/mol:	-27.67
Dipole, Da:	8.11
IP(EA), eV:	-9.48(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenoxy)ethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations