Geometry & MOs

Info

ID:	207816
PubChem CID:	80453169
Reduced:	FSN2O2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	253.018448
ΔH_f, kcal/mol:	-105.45
Dipole, Da:	4.14
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-(2,2,2-trifluoroethoxy)benzenecarbothioamide

Drug info:

PubChemData

Smile

CCC(C(=O)N)OC1=CC(=C(C=C1)C(=S)N)F

DOS

IR

Vibrations