Geometry & MOs

Info

ID:	176224
PubChem CID:	76013467
Reduced:	SF2N2O2H14C19 (1)
Stoich.:	AB2C2D2E14F19 (1)
Weight, g/mol:	397.065831
ΔH_f, kcal/mol:	-89.82
Dipole, Da:	2.05
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluorophenyl)-4aH-thieno[3,2-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C3C=CSC3C(=O)N(C2=O)C4=CC=CC=C4F)F

DOS

IR

Vibrations