Geometry & MOs

Info

ID:	57615
PubChem CID:	22426151
Reduced:	FN3O4H12C19 (1)
Stoich.:	AB3C4D12E19 (1)
Weight, g/mol:	525.095434
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	7.81
IP(EA), eV:	-8.15(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[2-[[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-hydroxyphenyl)methyl]amino]-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C3C(=C(O)O)C=C(N=C3NN2)C4=CC(=O)C(=O)C=C4)F

DOS

IR

Vibrations