Geometry & MOs

Info

ID:

44868

PubChem CID:

10506257

Reduced:

SN2O4H28C31 (1)

Stoich.:

AB2C4D28E31 (1)

Weight, g/mol:

524.389701

ΔHf, kcal/mol:

-46.1

Dipole, Da:

2.29

IP(EA), eV:

 -9.1(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-11-hydroxy-3-[(Z)-oct-2-enyl]undec-5-en-2-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=COC2=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations