Geometry & MOs

Info

ID:	128393
PubChem CID:	51042618
Reduced:	SN5H25C31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	503.157995
ΔH_f, kcal/mol:	179.19
Dipole, Da:	6.1
IP(EA), eV:	-8.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-3-[(2,4,5-triphenylimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=C(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations