Geometry & MOs

Info

ID:	40766
PubChem CID:	8144668
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	381.174908
ΔH_f, kcal/mol:	22.04
Dipole, Da:	1.2
IP(EA), eV:	-8.56(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N4C2=NN(C4=S)CN5CCOCC5

DOS

IR

Vibrations