Geometry & MOs

Info

ID:

334437

PubChem CID:

127252989

Reduced:

SO3N4H14C23 (1)

Stoich.:

AB3C4D14E23 (1)

Weight, g/mol:

558.140508

ΔHf, kcal/mol:

16.39

Dipole, Da:

4.1

IP(EA), eV:

 -8.94(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC=CC4=C3N(C2=O)C5=C4C=C(C=C5)OCC(=O)NC6=NC=CS6

DOS

IR

Vibrations