Geometry & MOs

Info

ID:	222745
PubChem CID:	85332285
Reduced:	N3O5C28H47 (1)
Stoich.:	A3B5C28D47 (1)
Weight, g/mol:	506.011974
ΔH_f, kcal/mol:	-286.7
Dipole, Da:	4.08
IP(EA), eV:	-9.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;[5-[2-[3-[hydroxy(oxido)phosphoryl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=C(C=C1)C)C(=O)NC(CC(C)C)C(C(CC(=O)NCC(C)C)O)O

DOS

IR

Vibrations