Geometry & MOs

Info

ID:	68862
PubChem CID:	46509679
Reduced:	FSO3N4H21C24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	482.106019
ΔH_f, kcal/mol:	-42.54
Dipole, Da:	8.02
IP(EA), eV:	-9.64(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations