Geometry & MOs

Info

ID:

177032

PubChem CID:

76126721

Reduced:

FS3O5N8C32H34 (1)

Stoich.:

AB3C5D8E32F34 (1)

Weight, g/mol:

487.175989

ΔHf, kcal/mol:

-36.68

Dipole, Da:

8.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.140328

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[[2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenoxy]propyl]amino]ethyl]phenyl]-(phenoxymethyl)phosphinic acid

Drug info:

PubChemData

Smile

C=CC[N+]1=C2C=C(C(=CC2=C(C=C1)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOCC=C)C5=CSC(=N5)N)SC3)C(=O)O)F)N6CCNCC6

DOS

IR

Vibrations