Geometry & MOs

Info

ID:	260887
PubChem CID:	103208271
Reduced:	N2O2F3C10H13 (1)
Stoich.:	A2B2C3D10E13 (1)
Weight, g/mol:	310.039911
ΔH_f, kcal/mol:	-220.57
Dipole, Da:	7.48
IP(EA), eV:	-10.12(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamothioyl-3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C#N)C(=O)COCC(F)(F)F

DOS

IR

Vibrations