Geometry & MOs

Info

ID:

392615

PubChem CID:

135017387

Reduced:

NCl3O7C26H28 (1)

Stoich.:

AB3C7D26E28 (1)

Weight, g/mol:

571.093135

ΔHf, kcal/mol:

-254.55

Dipole, Da:

2.09

IP(EA), eV:

 -9.56(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-[(6S,8aS)-2-phenyl-8-phenylmethoxy-6-prop-1-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamate

Drug info:

PubChemData

Smile

C=CCO[C@@H]1C(C([C@H]2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations