Geometry & MOs

Info

ID:	167529
PubChem CID:	74843996
Reduced:	ClFN3O3C23H27 (1)
Stoich.:	ABC3D3E23F27 (1)
Weight, g/mol:	431.164068
ΔH_f, kcal/mol:	-121.69
Dipole, Da:	3.35
IP(EA), eV:	-9.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(3-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-ium-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3)Cl)C

DOS

IR

Vibrations