Geometry & MOs

Info

ID:	40699
PubChem CID:	8144549
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	375.149087
ΔH_f, kcal/mol:	54.97
Dipole, Da:	4.41
IP(EA), eV:	-8.36(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-(morpholin-4-ium-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCOCC4

DOS

IR

Vibrations