Geometry & MOs

Info

ID:	123282
PubChem CID:	50840590
Reduced:	SO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	334.100066
ΔH_f, kcal/mol:	13.09
Dipole, Da:	7.05
IP(EA), eV:	-8.83(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-1-phenyltriazol-4-yl)-N-phenyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC3=NC=C(N=C3C=C2)N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations