Geometry & MOs

Info

ID:	412973
PubChem CID:	135085911
Reduced:	NSO3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	215.979418
ΔH_f, kcal/mol:	-9.23
Dipole, Da:	5.6
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;trifluoro-[(E)-2-thiophen-3-ylethenyl]boranuide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C2/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations