Geometry & MOs

Info

ID:	178018
PubChem CID:	76264497
Reduced:	SF3O3N4H11C16 (1)
Stoich.:	AB3C3D4E11F16 (1)
Weight, g/mol:	423.032303
ΔH_f, kcal/mol:	-111.2
Dipole, Da:	1.6
IP(EA), eV:	-9.36(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-5-(trifluoromethyl)pyridin-3-ylidene]benzamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NOC(=N2)CCCC(=O)N=C3C=C(C=NC3=O)C(F)(F)F

DOS

IR

Vibrations