Geometry & MOs

Info

ID:

187927

PubChem CID:

77644471

Reduced:

SSiN2O9C37H50 (1)

Stoich.:

ABC2D9E37F50 (1)

Weight, g/mol:

522.236601

ΔHf, kcal/mol:

-360.38

Dipole, Da:

7.44

IP(EA), eV:

 -8.77(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetic acid;3-[2-[4-[2-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]ethyl]phenoxy]ethoxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1(OCC2=C(O1)C=CC(=C2)C3CN(C(=O)O3)CCC4=CC=C(C=C4)OCCOCC5=CC(=CC=C5)S(=O)(=O)N(C)COCC[Si](C)(C)C)C

DOS

IR

Vibrations