Geometry & MOs

Info

ID:

335191

PubChem CID:

127254052

Reduced:

ClN3O5C26H26 (1)

Stoich.:

AB3C5D26E26 (1)

Weight, g/mol:

580.080406

ΔHf, kcal/mol:

-123.8

Dipole, Da:

2.91

IP(EA), eV:

 -8.77(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[[(4E)-4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC4=NC5=CC=CC=C5N4C

DOS

IR

Vibrations