Geometry & MOs

Info

ID:	426775
PubChem CID:	135153818
Reduced:	N3O3F4H9C13 (1)
Stoich.:	A3B3C4D9E13 (1)
Weight, g/mol:	247.057947
ΔH_f, kcal/mol:	-227.04
Dipole, Da:	1.69
IP(EA), eV:	-10.33(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(3-fluorophenyl)pyrimidine-4-carboximidothioate

Drug info:

PubChemData

Smile

C1COC(NC1=O)C2=CC(=C(C=C2)C3=NOC(=N3)C(F)(F)F)F

DOS

IR

Vibrations