Geometry & MOs

Info

ID:

335095

PubChem CID:

127253901

Reduced:

NO3H12C14 (2)

Stoich.:

AB3C12D14 (2)

Weight, g/mol:

485.115377

ΔHf, kcal/mol:

-139.97

Dipole, Da:

2.88

IP(EA), eV:

 -8.35(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations