Geometry & MOs

Info

ID:	222992
PubChem CID:	85333700
Reduced:	N5O9C44H65 (1)
Stoich.:	A5B9C44D65 (1)
Weight, g/mol:	808.642834
ΔH_f, kcal/mol:	-344.71
Dipole, Da:	8.18
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-didodecoxy-4-undecoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC1C2(C3C(C(=NCN(N3C(=O)O2)CCCC4=CC=CC5=C4N=CC=C5)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC6C(C(CC(O6)C)N(C)C)O)(C)OC)C)C)C

DOS

IR

Vibrations