Geometry & MOs

Info

ID:

44949

PubChem CID:

10506777

Reduced:

N2P2Na3C13O13H23 (1)

Stoich.:

A2B2C3D13E13F23 (1)

Weight, g/mol:

546.200216

ΔHf, kcal/mol:

-897.17

Dipole, Da:

12.96

IP(EA), eV:

 -8.68(0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyloxy-5-[(1S,2R,6S,7R)-7-(3,5-diacetyloxyphenyl)-10,10-dimethyl-8,9-diazatricyclo[5.2.1.02,6]deca-4,8-dien-1-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OC(=O)NCCCC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations