Geometry & MOs

Info

ID:

226307

PubChem CID:

87350393

Reduced:

SF3N3O4C27H36 (1)

Stoich.:

AB3C3D4E27F36 (1)

Weight, g/mol:

555.237862

ΔHf, kcal/mol:

-287.08

Dipole, Da:

7.51

IP(EA), eV:

 -8.9(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-2-[(2E)-2-[(2-methylpropan-2-yl)oxyimino]propoxy]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(=NOC(C)(C)C)COC1=C(C=C(C=C1)C(F)(F)F)C(=O)N=C2N(C=C(S2)C(C)(C)C)C[C@H]3CCCO3

DOS

IR

Vibrations