Geometry & MOs

Info

ID:

51498

PubChem CID:

12014176

Reduced:

BrPO3C7H12 (3)

Stoich.:

ABC3D7E12 (3)

Weight, g/mol:

1268.505291

ΔHf, kcal/mol:

-585.56

Dipole, Da:

4.27

IP(EA), eV:

 -9.28(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=C(C(=C(C(=C1Br)CP(=O)(OCC)OCC)Br)CP(=O)(OCC)OCC)Br)OCC

DOS

IR

Vibrations