Geometry & MOs

Info

ID:	403891
PubChem CID:	135062387
Reduced:	BSiO4C32H41 (1)
Stoich.:	ABC4D32E41 (1)
Weight, g/mol:	467.166748
ΔH_f, kcal/mol:	-231.08
Dipole, Da:	2.92
IP(EA), eV:	-8.61(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-(4-methylphenyl)sulfonyl-3,5-diphenyl-3H-1,2,4-triazole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C[C@@H]([C@@H](C2=CC=C(C=C2)OC)O[Si](C)(C)C3=CC=CC=C3)C(=C)C4=CC=CC=C4

DOS

IR

Vibrations