Geometry & MOs

Info

ID:

439411

PubChem CID:

135229185

Reduced:

SO2F3N5C20H24 (1)

Stoich.:

AB2C3D5E20F24 (1)

Weight, g/mol:

812.313789

ΔHf, kcal/mol:

-181.28

Dipole, Da:

10.53

IP(EA), eV:

 -9.5(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3E,5Z)-1-[4-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[3-(4-hydroxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]phenyl]-4-(4-hydroxyphenyl)octa-3,5-dien-7-ynyl]-4-(4-hydroxyphenyl)phenol

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C2CCCCC2)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations