Geometry & MOs

Info

ID:	31621
PubChem CID:	855946
Reduced:	SO2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	301.121512
ΔH_f, kcal/mol:	39.54
Dipole, Da:	1.99
IP(EA), eV:	-9.25(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C)N3C=NN=N3

DOS

IR

Vibrations