Geometry & MOs

Info

ID:	222072
PubChem CID:	85293763
Reduced:	NSCl3O9C17H24 (1)
Stoich.:	ABC3D9E17F24 (1)
Weight, g/mol:	526.256668
ΔH_f, kcal/mol:	-441.65
Dipole, Da:	3.94
IP(EA), eV:	-9.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-5,6-dimethyl-13-methylidene-2,9-bis(phenylmethoxy)-4,7,11,15-tetraoxatricyclo[8.5.0.03,8]pentadecane

Drug info:

PubChemData

Smile

CCSC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations