Geometry & MOs

Info

ID:

448496

PubChem CID:

135291365

Reduced:

P4O13C129H182 (1)

Stoich.:

A4B13C129D182 (1)

Weight, g/mol:

472.209718

ΔHf, kcal/mol:

-817.21

Dipole, Da:

4.66

IP(EA), eV:

 -8.27(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[3-[2-[3-(3-acetyloxy-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)OP2OCC3(CCC(CC3)CC(C)(C)C4=CC5=C(C(=C4)C(C)(C)C)OP(OC6=C5C=C(C=C6C(C)(C)C)C(C)(C)C)OC7=C(C=C(C=C7C(C)(C)C)C(C)(C)C)C8=C(C(=CC(=C8)C(C)(C)C)C(C)(C)C)OP9OC1=C(O9)C(=CC=C1)OC)CO2)C1=C(C(=CC(=C1OP1OC2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C2=C(O1)C(=CC(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C

DOS

IR

Vibrations