Geometry & MOs

Info

ID:

334217

PubChem CID:

127252769

Reduced:

O4N5H17C25 (1)

Stoich.:

A4B5C17D25 (1)

Weight, g/mol:

528.202714

ΔHf, kcal/mol:

-47.1

Dipole, Da:

7.62

IP(EA), eV:

 -8.86(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CC6=C(C=C5)NC=NC6=O

DOS

IR

Vibrations