Geometry & MOs

Info

ID:	188230
PubChem CID:	77686389
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	478.293054
ΔH_f, kcal/mol:	-56.06
Dipole, Da:	4.33
IP(EA), eV:	-8.63(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-dihexoxy-4-(4-hydroxy-5-oxohexoxy)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)C3(NC4=C(N3)C=C(C=C4)C(=O)OCC5=CC=CC=C5)C(=O)N

DOS

IR

Vibrations