Geometry & MOs

Info

ID:

1899

PubChem CID:

5298

Reduced:

N4O8H22C25 (1)

Stoich.:

A4B8C22D25 (1)

Weight, g/mol:

506.143764

ΔHf, kcal/mol:

-197.82

Dipole, Da:

9.69

IP(EA), eV:

 -8.91(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O

DOS

IR

Vibrations