Geometry & MOs

Info

ID:

190969

PubChem CID:

78088166

Reduced:

NSF3O5H34C36 (1)

Stoich.:

ABC3D5E34F36 (1)

Weight, g/mol:

632.159335

ΔHf, kcal/mol:

-255.87

Dipole, Da:

2.87

IP(EA), eV:

 -8.62(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-6-[N-phenyl-C-(trifluoromethyl)carbonimidoyl]oxy-5-[[2-(trifluoromethyl)phenyl]methylideneamino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)N=CC3=CC=CC=C3C(F)(F)F)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations