Geometry & MOs

Info

ID:	322906
PubChem CID:	126671560
Reduced:	NF3C9H12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	255.992505
ΔH_f, kcal/mol:	-156.16
Dipole, Da:	3.17
IP(EA), eV:	-8.46(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4,6-difluorophenyl)benzenethiol

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC(N1)C(F)(F)F

DOS

IR

Vibrations