Geometry & MOs

Info

ID:	134089
PubChem CID:	51640963
Reduced:	ClFO2N5C24H29 (1)
Stoich.:	ABC2D5E24F29 (1)
Weight, g/mol:	444.094879
ΔH_f, kcal/mol:	-81.79
Dipole, Da:	3.59
IP(EA), eV:	-8.33(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(2-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H](CNC(=O)C(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC4=C(C=C3)N(CC4)C

DOS

IR

Vibrations