Geometry & MOs

Info

ID:

334096

PubChem CID:

127252648

Reduced:

NO3C13H17 (2)

Stoich.:

AB3C13D17 (2)

Weight, g/mol:

520.070715

ΔHf, kcal/mol:

-224.26

Dipole, Da:

6.94

IP(EA), eV:

 -8.69(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(Z)-[(2R,4'R)-7-chloro-4,6-dimethoxy-4'-methyl-2',3,6'-trioxospiro[1-benzofuran-2,3'-cyclohexane]-1'-ylidene]methyl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations