Geometry & MOs

Info

ID:	141516
PubChem CID:	52887802
Reduced:	SN3O4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	286.100523
ΔH_f, kcal/mol:	16.19
Dipole, Da:	6.76
IP(EA), eV:	-8.59(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)-2-oxoethyl] 3,4-dimethylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations