Geometry & MOs

Info

ID:

220160

PubChem CID:

85165309

Reduced:

S2N4O8C31H42 (1)

Stoich.:

A2B4C8D31E42 (1)

Weight, g/mol:

660.998841

ΔHf, kcal/mol:

-310.66

Dipole, Da:

8.92

IP(EA), eV:

 -9.43(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-ethylsulfanyl-6-(phenylmethoxymethyl)-3-(2,2,2-trichloroethoxycarbonylamino)-5-(trifluoromethylsulfonyloxy)oxan-4-yl] acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CCS(=O)(=O)C)C(=O)O)N(CC(CS)N)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations