Geometry & MOs

Info

ID:

334485

PubChem CID:

127253160

Reduced:

ClNSO7C20H22 (1)

Stoich.:

ABCD7E20F22 (1)

Weight, g/mol:

509.171749

ΔHf, kcal/mol:

-254.89

Dipole, Da:

8.29

IP(EA), eV:

 -8.93(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4CCS(=O)(=O)C4

DOS

IR

Vibrations