Geometry & MOs

Info

ID:

190968

PubChem CID:

78088165

Reduced:

NSF3O11C37H44 (1)

Stoich.:

ABC3D11E37F44 (1)

Weight, g/mol:

649.210979

ΔHf, kcal/mol:

-609.3

Dipole, Da:

2.01

IP(EA), eV:

 -8.8(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-bis(phenylmethoxy)-6-phenylsulfanyl-5-[[2-(trifluoromethyl)phenyl]methylideneamino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1C(C2C(C(O1)SC3=C(C=CC=C3C)C)OC(O2)(C)C)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)N=CC5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations