Geometry & MOs

Info

ID:

334977

PubChem CID:

127253783

Reduced:

O3N5C25H25 (1)

Stoich.:

A3B5C25D25 (1)

Weight, g/mol:

490.125527

ΔHf, kcal/mol:

-41.02

Dipole, Da:

2.65

IP(EA), eV:

 -9.13(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCCC(=O)NCCCN5C=CN=C5

DOS

IR

Vibrations