Geometry & MOs

Info

ID:

334586

PubChem CID:

127253261

Reduced:

NO4C34H45 (1)

Stoich.:

AB4C34D45 (1)

Weight, g/mol:

486.12275

ΔHf, kcal/mol:

-153.48

Dipole, Da:

3.13

IP(EA), eV:

 -8.32(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCN1C2=C(C3=C(C1=O)C(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C42

DOS

IR

Vibrations