Geometry & MOs

Info

ID:	124665
PubChem CID:	50891465
Reduced:	SN2O7C17H18 (1)
Stoich.:	AB2C7D17E18 (1)
Weight, g/mol:	353.073322
ΔH_f, kcal/mol:	-161.32
Dipole, Da:	7.58
IP(EA), eV:	-9.21(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N(CCCC(=O)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations