Geometry & MOs

Info

ID:	68844
PubChem CID:	46509348
Reduced:	SO3N4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	432.125612
ΔH_f, kcal/mol:	13.55
Dipole, Da:	3.78
IP(EA), eV:	-9.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(methyl)amino]-2-oxoethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations