Geometry & MOs

Info

ID:	233453
PubChem CID:	90944529
Reduced:	O21C59H72 (1)
Stoich.:	A21B59C72 (1)
Weight, g/mol:	854.114275
ΔH_f, kcal/mol:	-799.51
Dipole, Da:	8.61
IP(EA), eV:	-9.47(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

C1=CC=C(C=C1)CO[C@@H]2[C@@H](C([C@@H](OC2CO)OCC3[C@@H]([C@@H](C([C@@H](O3)O[C@H]4[C@@H](C(O[C@H](C4O)OCC5=CC=CC=C5)CO)OCC6=CC=CC=C6)O)O[C@H]7C([C@H]([C@@H](C(O7)CO)OCC8=CC=CC=C8)O)O)OCC9=CC=CC=C9)O)O

DOS

IR

Vibrations