Geometry & MOs

Info

ID:

219024

PubChem CID:

85090381

Reduced:

N2O7C30H40 (1)

Stoich.:

A2B7C30D40 (1)

Weight, g/mol:

540.308704

ΔHf, kcal/mol:

-121.75

Dipole, Da:

6.78

IP(EA), eV:

 -8.48(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-hydroxy-2-(5-methoxy-3,5-dimethyl-4-phenylmethoxyoxolan-2-yl)propyl]-1,5-dimethyl-6-phenylmethoxy-7-oxabicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(=O)C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)N3CCC3)C)OC)C)C)O)OC

DOS

IR

Vibrations