Geometry & MOs

Info

ID:	373369
PubChem CID:	131314333
Reduced:	BrClSF2H2N2O4C6 (1)
Stoich.:	ABCD2E2F2G4H6 (1)
Weight, g/mol:	227.034921
ΔH_f, kcal/mol:	-145.2
Dipole, Da:	6.39
IP(EA), eV:	-11.51(-2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(2-methyl-3-nitrophenyl)propan-1-one

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1[N+](=O)[O-])S(=O)(=O)Cl)Br)C(F)F

DOS

IR

Vibrations