Geometry & MOs

Info

ID:

413544

PubChem CID:

135086493

Reduced:

SO2N4H12C15 (1)

Stoich.:

AB2C4D12E15 (1)

Weight, g/mol:

889.164586

ΔHf, kcal/mol:

52.59

Dipole, Da:

5.54

IP(EA), eV:

 -8.74(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-3-phenylmethoxy-5-[(1S)-1-phenyl-2-phenylsulfanylethoxy]-6-(2,2,2-trichloroethanimidoyl)oxyoxan-4-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3C2=[N+]=[N-]

DOS

IR

Vibrations