Geometry & MOs

Info

ID:	166561
PubChem CID:	74710353
Reduced:	SN3O5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	340.109745
ΔH_f, kcal/mol:	-180.34
Dipole, Da:	5.68
IP(EA), eV:	-8.24(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,4-dioxophthalazin-2-ium-2-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCSC1NC2C(C(C(=C(N2)C)C(=O)OC)C3=CC(=C(C=C3)OC)OC)C(=O)N1

DOS

IR

Vibrations