Geometry & MOs

Info

ID:

334283

PubChem CID:

127252835

Reduced:

N3O6C30H37 (1)

Stoich.:

A3B6C30D37 (1)

Weight, g/mol:

473.087744

ΔHf, kcal/mol:

-186.63

Dipole, Da:

6.31

IP(EA), eV:

 -8.49(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCC3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations