Geometry & MOs

Info

ID:	21940
PubChem CID:	593973
Reduced:	N2S2F3H5C6 (1)
Stoich.:	A2B2C3D5E6 (1)
Weight, g/mol:	225.984625
ΔH_f, kcal/mol:	-100.01
Dipole, Da:	8.39
IP(EA), eV:	-8.98(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-(3-methyl-1,3-thiazol-2-ylidene)ethanethioamide

Drug info:

PubChemData

Smile

CN1C=CSC1=NC(=S)C(F)(F)F

DOS

IR

Vibrations