Geometry & MOs

Info

ID:	46660
PubChem CID:	10526053
Reduced:	O4C11H13 (2)
Stoich.:	A4B11C13 (2)
Weight, g/mol:	418.120509
ΔH_f, kcal/mol:	-281.77
Dipole, Da:	3.79
IP(EA), eV:	-8.66(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

22,25-dimethoxyhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3(8),5,9,12,14,16,19,21,23,25-dodecaene-4,7-dione

Drug info:

PubChemData

Smile

COC1=C(C(=C2[C@@H]([C@H]([C@@](CC2=C1)(CO)O)CO)C3=CC4=C(C=C3)OCO4)OC)OC

DOS

IR

Vibrations