Geometry & MOs

Info

ID:

334150

PubChem CID:

127252702

Reduced:

N2O7C23H24 (1)

Stoich.:

A2B7C23D24 (1)

Weight, g/mol:

537.166663

ΔHf, kcal/mol:

-204.8

Dipole, Da:

5.07

IP(EA), eV:

 -8.52(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)/C=C/C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations