Geometry & MOs

Info

ID:

334001

PubChem CID:

127252553

Reduced:

N2O2C14H15 (2)

Stoich.:

A2B2C14D15 (2)

Weight, g/mol:

498.155764

ΔHf, kcal/mol:

-117.36

Dipole, Da:

8.12

IP(EA), eV:

 -8.26(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]-N-methyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)CCN1C=C2C(C3=C(CN(C3=O)C(=O)C)NC4=C2C1=CC=C4)C5=CC(=CC=C5)OCC(=O)N

DOS

IR

Vibrations