Geometry & MOs

Info

ID:

335182

PubChem CID:

127254043

Reduced:

N2O6C25H32 (1)

Stoich.:

A2B6C25D32 (1)

Weight, g/mol:

610.195131

ΔHf, kcal/mol:

-196.55

Dipole, Da:

3.07

IP(EA), eV:

 -8.53(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1R,14S)-7-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-11,11-dimethyl-5,6,6',9-tetraoxospiro[2-oxa-7,10-diazatetracyclo[6.5.1.01,10.04,8]tetradec-3-ene-13,3'-cyclohexa-1,4-diene]-14-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NC2CCN(CC2)CC3CC3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations