Geometry & MOs

Info

ID:	12857
PubChem CID:	147094
Reduced:	NS2C5H5F6 (1)
Stoich.:	AB2C5D5E6 (1)
Weight, g/mol:	256.97676
ΔH_f, kcal/mol:	-300.78
Dipole, Da:	4.4
IP(EA), eV:	-9.27(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2,2,2-trifluoroethyl)carbamodithioic acid

Drug info:

PubChemData

Smile

C(C(F)(F)F)N(CC(F)(F)F)C(=S)S

DOS

IR

Vibrations