Geometry & MOs

Info

ID:

181796

PubChem CID:

76793451

Reduced:

N3O7C29H39 (1)

Stoich.:

A3B7C29D39 (1)

Weight, g/mol:

639.172003

ΔHf, kcal/mol:

-283.47

Dipole, Da:

8.19

IP(EA), eV:

 -9.29(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[1,4-dihydroxy-3-[[6-hydroxy-2,3-bis(hydroxymethyl)phenyl]methyl-(phosphonomethyl)amino]butan-2-yl]-[[2-hydroxy-4,6-bis(hydroxymethyl)phenyl]methylidene]-(phosphonomethyl)azanium

Drug info:

PubChemData

Smile

CC(C)CCCC1=CC(=C2CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C

DOS

IR

Vibrations