Geometry & MOs

Info

ID:

334296

PubChem CID:

127252848

Reduced:

ClN4O7C36H37 (1)

Stoich.:

AB4C7D36E37 (1)

Weight, g/mol:

500.135029

ΔHf, kcal/mol:

-209.39

Dipole, Da:

12.25

IP(EA), eV:

 -8.83(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)NC5=CC(=O)[C@@]6([C@@H](C5)C)C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations