Geometry & MOs

Info

ID:	223739
PubChem CID:	85335504
Reduced:	Cl2O2N5C27H35 (1)
Stoich.:	A2B2C5D27E35 (1)
Weight, g/mol:	524.189376
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	7.0
IP(EA), eV:	-8.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[2,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propoxy]-3-methoxyphenyl]ethenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)NC2C3CC(CCC3NN2)NC(=O)C(CCN)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations