Geometry & MOs

Info

ID:	40654
PubChem CID:	8144479
Reduced:	SO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	57.61
Dipole, Da:	8.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.855824
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-5-(furan-2-yl)-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C1COCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4

DOS

IR

Vibrations