Geometry & MOs

Info

ID:	378056
PubChem CID:	134224125
Reduced:	BrNH16C23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	177.987562
ΔH_f, kcal/mol:	107.11
Dipole, Da:	2.52
IP(EA), eV:	-9.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4,4,4-pentafluorobutane-2-thione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=CC(=C2)C3=CC=CC=N3)C4=CC=CC=C4Br

DOS

IR

Vibrations