Geometry & MOs

Info

ID:

221774

PubChem CID:

85286130

Reduced:

SiO8C34H54 (1)

Stoich.:

AB8C34D54 (1)

Weight, g/mol:

619.423674

ΔHf, kcal/mol:

-416.05

Dipole, Da:

3.56

IP(EA), eV:

 -8.99(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,4,6-tritert-butylphenyl) 4-(5,5-dimethyl-1,3-dioxan-2-ylidene)-1-phenylmethoxy-5-propan-2-ylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(CC2(C(C(C(O2)C(CC(C(C)C=C)O[Si](C)(C)C(C)(C)C)OC)O)(C)C)OC1CC=O)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations