Geometry & MOs

Info

ID:

334154

PubChem CID:

127252706

Reduced:

O9H24C29 (1)

Stoich.:

A9B24C29 (1)

Weight, g/mol:

538.13676

ΔHf, kcal/mol:

-246.57

Dipole, Da:

6.54

IP(EA), eV:

 -8.53(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]phenyl]tetrazol-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC=CC=C5OCC(=O)OC)OC

DOS

IR

Vibrations