Geometry & MOs

Info

ID:	33718
PubChem CID:	7887706
Reduced:	SN2O4C21H32 (1)
Stoich.:	AB2C4D21E32 (1)
Weight, g/mol:	330.126737
ΔH_f, kcal/mol:	-174.49
Dipole, Da:	5.93
IP(EA), eV:	-9.36(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCCCCC3

DOS

IR

Vibrations