Geometry & MOs

Info

ID:	321852
PubChem CID:	126667079
Reduced:	NF3O3H12C15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	263.052861
ΔH_f, kcal/mol:	-213.21
Dipole, Da:	2.99
IP(EA), eV:	-9.48(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(2-fluorophenyl)-nitrosomethylidene]-2-methylsulfanyl-1H-pyrimidine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1N(CC2=CC=C(O2)C(F)(F)F)C=O

DOS

IR

Vibrations