Geometry & MOs

Info

ID:

176565

PubChem CID:

76066420

Reduced:

NO2C16H16 (2)

Stoich.:

AB2C16D16 (2)

Weight, g/mol:

561.224002

ΔHf, kcal/mol:

-78.05

Dipole, Da:

1.33

IP(EA), eV:

 -8.56(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5,8-dihydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl-[4-methyl-2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6CCO)C9=CC=CC=C9C=C8

DOS

IR

Vibrations