Geometry & MOs

Info

ID:

446855

PubChem CID:

135278230

Reduced:

BrSN5O7H40C43 (1)

Stoich.:

ABC5D7E40F43 (1)

Weight, g/mol:

817.135535

ΔHf, kcal/mol:

-141.25

Dipole, Da:

10.7

IP(EA), eV:

 -8.65(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2,2,4,4,6-pentakis(4-hydroxyphenoxy)-7-methyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohepta-1,3,5-trien-6-yl]oxy]phenol

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CC5CN(C5)CCOC6=CC=C(C=C6)OC7=C(SC8=C7C=CC(=C8)O)C9=CC=C(C=C9)Br

DOS

IR

Vibrations