Geometry & MOs

Info

ID:

334120

PubChem CID:

127252672

Reduced:

SN3O4H15C16 (1)

Stoich.:

AB3C4D15E16 (1)

Weight, g/mol:

539.098309

ΔHf, kcal/mol:

22.1

Dipole, Da:

9.02

IP(EA), eV:

 -9.7(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]2CN(C[C@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)C4=CC=CS4

DOS

IR

Vibrations