Geometry & MOs

Info

ID:	203816
PubChem CID:	79873932
Reduced:	SN3O4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	267.025561
ΔH_f, kcal/mol:	-80.04
Dipole, Da:	6.47
IP(EA), eV:	-9.63(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxo-1-(2,4,6-trifluorophenyl)pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CCC1N)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

DOS

IR

Vibrations