Geometry & MOs

Info

ID:

84326

PubChem CID:

49865787

Reduced:

FO2N5C26H26 (1)

Stoich.:

AB2C5D26E26 (1)

Weight, g/mol:

696.163162

ΔHf, kcal/mol:

-15.9

Dipole, Da:

2.98

IP(EA), eV:

 -8.68(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8Z)-8-[4-hydroxy-3-(7-hydroxy-3,3-dimethyl-9,10-dioxobenzo[f]chromen-8-yl)-6-methoxy-1-oxonaphthalen-2-ylidene]-3,3-dimethylbenzo[f]chromene-7,9,10-trione

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C\3/C(=O)N(C4=NCCCN34)[C@@H](C)C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations