Geometry & MOs

Info

ID:	68848
PubChem CID:	46509356
Reduced:	SF3N4O4H15C22 (1)
Stoich.:	AB3C4D4E15F22 (1)
Weight, g/mol:	481.085618
ΔH_f, kcal/mol:	-182.76
Dipole, Da:	10.13
IP(EA), eV:	-9.11(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C4=CC=CS4

DOS

IR

Vibrations