Geometry & MOs

Info

ID:	426779
PubChem CID:	135153840
Reduced:	SF3N3H8C12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	233.042297
ΔH_f, kcal/mol:	-70.57
Dipole, Da:	3.32
IP(EA), eV:	-9.11(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)pyrimidine-4-carbothioamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)NC(=S)C2=NC=NC=C2

DOS

IR

Vibrations