Geometry & MOs

Info

ID:

334801

PubChem CID:

127253476

Reduced:

N2O3H12C13 (2)

Stoich.:

A2B3C12D13 (2)

Weight, g/mol:

497.098978

ΔHf, kcal/mol:

-112.99

Dipole, Da:

4.94

IP(EA), eV:

 -8.44(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)CCN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations