Geometry & MOs

Info

ID:

334881

PubChem CID:

127253687

Reduced:

N6O7C34H38 (1)

Stoich.:

A6B7C34D38 (1)

Weight, g/mol:

512.1384

ΔHf, kcal/mol:

-150.02

Dipole, Da:

3.32

IP(EA), eV:

 -8.68(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC(=C1)C2=NNC(=N2)COC)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations