Geometry & MOs

Info

ID:

334709

PubChem CID:

127253384

Reduced:

N4O7C33H38 (1)

Stoich.:

A4B7C33D38 (1)

Weight, g/mol:

431.124798

ΔHf, kcal/mol:

-209.01

Dipole, Da:

10.63

IP(EA), eV:

 -8.42(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[(5-methyl-1H-pyrazol-4-yl)methylamino]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)NC4=CC=C(C=C4)C(=O)NC)OC)OC)OC

DOS

IR

Vibrations