Geometry & MOs

Info

ID:	218835
PubChem CID:	85090044
Reduced:	SO4N5C26H37 (1)
Stoich.:	AB4C5D26E37 (1)
Weight, g/mol:	519.197193
ΔH_f, kcal/mol:	-142.47
Dipole, Da:	3.72
IP(EA), eV:	-8.92(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-[[3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]tetrazolidine

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC(CCCC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3NS(=O)(=O)C)N

DOS

IR

Vibrations