Geometry & MOs

Info

ID:	40768
PubChem CID:	8144670
Reduced:	OSN4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	385.149836
ΔH_f, kcal/mol:	49.34
Dipole, Da:	4.23
IP(EA), eV:	-8.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-benzyl-4-(4-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCOCC3)CC4=CC=CC=C4

DOS

IR

Vibrations