Geometry & MOs

Info

ID:	271810
PubChem CID:	103692929
Reduced:	NSF3O5C14H16 (1)
Stoich.:	ABC3D5E14F16 (1)
Weight, g/mol:	256.028204
ΔH_f, kcal/mol:	-363.06
Dipole, Da:	1.72
IP(EA), eV:	-9.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(CSCCOC(F)(F)F)C(=O)O

DOS

IR

Vibrations