Geometry & MOs

Info

ID:

334575

PubChem CID:

127253250

Reduced:

O2N3C15H15 (2)

Stoich.:

A2B3C15D15 (2)

Weight, g/mol:

473.12413

ΔHf, kcal/mol:

37.99

Dipole, Da:

4.55

IP(EA), eV:

 -8.96(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]2C3CC(CN2C4=C1C=C(C=C4)[N+](=O)[O-])C5=CC=CC(=O)N5C3)C(=O)NCCCC6=NC7=CC=CC=C7N6

DOS

IR

Vibrations