Geometry & MOs

Info

ID:	447486
PubChem CID:	135283263
Reduced:	F3S3N6O6C18H19 (1)
Stoich.:	A3B3C6D6E18F19 (1)
Weight, g/mol:	173.085207
ΔH_f, kcal/mol:	-299.32
Dipole, Da:	6.49
IP(EA), eV:	-9.64(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-fluorohex-5-ene-2,4-dione

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=CC(=C1)N(S(=O)(=O)C)S(=O)(=O)C)C2=NN=C(N2C)C3=NC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations