Geometry & MOs

Info

ID:

334003

PubChem CID:

127252555

Reduced:

ClN2O7C24H29 (1)

Stoich.:

AB2C7D24E29 (1)

Weight, g/mol:

560.135029

ΔHf, kcal/mol:

-272.67

Dipole, Da:

7.15

IP(EA), eV:

 -8.8(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC2=CC(=O)[C@@]3([C@@H](C2)C)C(=O)C4=C(O3)C(=C(C=C4OC)OC)Cl

DOS

IR

Vibrations