Geometry & MOs

Info

ID:

220014

PubChem CID:

85165144

Reduced:

N2F3O7C33H39 (1)

Stoich.:

A2B3C7D33E39 (1)

Weight, g/mol:

632.262147

ΔHf, kcal/mol:

-395.86

Dipole, Da:

4.91

IP(EA), eV:

 -8.86(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4-dimethyl-7-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecane

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC=CC(=C3)C(=C(C)CN(C(=O)OC(C)(C)C)OC(=O)OC(C)(C)C)C

DOS

IR

Vibrations