Geometry & MOs

Info

ID:

333995

PubChem CID:

127252547

Reduced:

ClO5N7H24C27 (1)

Stoich.:

AB5C7D24E27 (1)

Weight, g/mol:

541.125192

ΔHf, kcal/mol:

-30.32

Dipole, Da:

4.15

IP(EA), eV:

 -8.86(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC(=C4)C5=NNC(=N5)CN6C=NC=N6

DOS

IR

Vibrations