Geometry & MOs

Info

ID:	343970
PubChem CID:	127267146
Reduced:	FSN4O4C13H15 (1)
Stoich.:	ABC4D4E13F15 (1)
Weight, g/mol:	317.073322
ΔH_f, kcal/mol:	-76.09
Dipole, Da:	5.68
IP(EA), eV:	-8.96(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-6-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])F)S(=O)(=O)NC2=NN(C=C2)C(C)C

DOS

IR

Vibrations