Geometry & MOs

Info

ID:

334075

PubChem CID:

127252627

Reduced:

O9H18C26 (1)

Stoich.:

A9B18C26 (1)

Weight, g/mol:

541.14382

ΔHf, kcal/mol:

-271.29

Dipole, Da:

3.31

IP(EA), eV:

 -8.8(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CC1=C(OC2=C1C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)C5=CC=CC=C5

DOS

IR

Vibrations