Geometry & MOs

Info

ID:	137387
PubChem CID:	52202868
Reduced:	SN2O4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	289.075036
ΔH_f, kcal/mol:	-145.91
Dipole, Da:	7.15
IP(EA), eV:	-9.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-nitrophenyl) 2-(2-methylphenyl)acetate

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C(=O)NC[C@@H]2CCS(=O)(=O)C2

DOS

IR

Vibrations