Geometry & MOs

Info

ID:	251288
PubChem CID:	103102778
Reduced:	SO3N4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	285.076099
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	3.13
IP(EA), eV:	-9.48(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-amino-2-oxoethyl)-ethylamino]-2-fluoro-4-nitrobenzoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C2C(=C(SC2=NC=N1)C(=O)O)C

DOS

IR

Vibrations