Geometry & MOs

Info

ID:	40739
PubChem CID:	8144620
Reduced:	SO2N4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	34.19
Dipole, Da:	7.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755504
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)C[NH+]3CCOCC3

DOS

IR

Vibrations