Geometry & MOs

Info

ID:

214916

PubChem CID:

85083844

Reduced:

O16C29H36 (1)

Stoich.:

A16B29C36 (1)

Weight, g/mol:

640.225958

ΔHf, kcal/mol:

-645.55

Dipole, Da:

7.18

IP(EA), eV:

 -8.87(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,4-dimethyl-1-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxypentyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

DOS

IR

Vibrations