Geometry & MOs

Info

ID:

334263

PubChem CID:

127252815

Reduced:

N2O3C20H23 (2)

Stoich.:

A2B3C20D23 (2)

Weight, g/mol:

422.124464

ΔHf, kcal/mol:

-11.45

Dipole, Da:

13.1

IP(EA), eV:

 -8.29(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N1CCC(=CC1)C2=CNC3=CC=CC=C32)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations