Geometry & MOs

Info

ID:

333991

PubChem CID:

127252543

Reduced:

N3O4C26H43 (1)

Stoich.:

A3B4C26D43 (1)

Weight, g/mol:

555.15947

ΔHf, kcal/mol:

-175.13

Dipole, Da:

2.75

IP(EA), eV:

 -8.31(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)N(CCOC)C[C@@H]2CCCN3[C@@H]2CCCC3

DOS

IR

Vibrations