Geometry & MOs

Info

ID:

214588

PubChem CID:

85083238

Reduced:

BrOF3N5H23C26 (1)

Stoich.:

ABC3D5E23F26 (1)

Weight, g/mol:

554.069655

ΔHf, kcal/mol:

-14.24

Dipole, Da:

8.28

IP(EA), eV:

 -8.4(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3',4,4',9',10-pentahydroxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)CC3NNNN3)C4=C(C=CC(=C4)Br)OCC5=C(C=C(C=C5F)F)F

DOS

IR

Vibrations