Geometry & MOs

Info

ID:	425296
PubChem CID:	135125855
Reduced:	SF3N3O5C19H24 (1)
Stoich.:	AB3C3D5E19F24 (1)
Weight, g/mol:	459.09768
ΔH_f, kcal/mol:	-308.31
Dipole, Da:	3.74
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-[2-[2-(methylcarbamoylamino)-1,3-thiazol-5-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CS(N(C(=N1)NC(=O)O)C)(O)O)C2=C(C(=CC(=C2)C=C(C3CCOCC3)F)F)F

DOS

IR

Vibrations