Geometry & MOs

Info

ID:	201292
PubChem CID:	79519760
Reduced:	FOSN3C12H14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	280.140948
ΔH_f, kcal/mol:	-62.77
Dipole, Da:	7.44
IP(EA), eV:	-8.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethylcyclohexyl)amino]-6-fluorobenzenecarbothioamide

Drug info:

PubChemData

Smile

C1CC(=O)NC1CNC2=C(C(=CC=C2)F)C(=S)N

DOS

IR

Vibrations