Geometry & MOs

Info

ID:

334750

PubChem CID:

127253425

Reduced:

N5O5H19C22 (1)

Stoich.:

A5B5C19D22 (1)

Weight, g/mol:

475.103394

ΔHf, kcal/mol:

-82.77

Dipole, Da:

3.33

IP(EA), eV:

 -8.95(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=NC=CN5)OC

DOS

IR

Vibrations