Geometry & MOs

Info

ID:

337555

PubChem CID:

127258178

Reduced:

N3O6H25C30 (1)

Stoich.:

A3B6C25D30 (1)

Weight, g/mol:

585.174729

ΔHf, kcal/mol:

-126.8

Dipole, Da:

8.99

IP(EA), eV:

 -8.31(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(diethylamino)-N-[3-(3-methoxy-2,5-dioxocyclopent-3-en-1-yl)-5-(3-methoxy-2,5-dioxopyrrol-1-yl)phenyl]-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=CC=C(C=C3)N4C(=O)C=C(C4=O)OC5=CC=CC=C5

DOS

IR

Vibrations