Geometry & MOs

Info

ID:	226305
PubChem CID:	87350391
Reduced:	NC6O6H13 (1)
Stoich.:	AB6C6D13 (1)
Weight, g/mol:	555.237862
ΔH_f, kcal/mol:	-244.87
Dipole, Da:	3.1
IP(EA), eV:	-9.98(-0.38)
Spin(S_z, 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-[(2Z)-2-[(2-methylpropan-2-yl)oxyimino]propoxy]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C(CO)C(C(C(C(=O)NO)O)O)O

DOS

IR

Vibrations