Geometry & MOs

Info

ID:	406182
PubChem CID:	135076820
Reduced:	NSO3F9H10C16 (1)
Stoich.:	ABC3D9E10F16 (1)
Weight, g/mol:	203.004668
ΔH_f, kcal/mol:	-510.09
Dipole, Da:	1.36
IP(EA), eV:	-9.51(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(4-chlorophenyl)ethynyl-trifluoroboranuide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2=CC=CC=C2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations