Geometry & MOs

Info

ID:

334272

PubChem CID:

127252824

Reduced:

N4O7C38H54 (1)

Stoich.:

A4B7C38D54 (1)

Weight, g/mol:

498.166998

ΔHf, kcal/mol:

-248.55

Dipole, Da:

9.41

IP(EA), eV:

 -7.96(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)N(CCOC)C[C@@H]4CCCN5[C@@H]4CCCC5)OC)OC)OC

DOS

IR

Vibrations