Geometry & MOs

Info

ID:	61048
PubChem CID:	26704727
Reduced:	FSN2O5H23C26 (1)
Stoich.:	ABC2D5E23F26 (1)
Weight, g/mol:	427.088972
ΔH_f, kcal/mol:	-164.79
Dipole, Da:	2.95
IP(EA), eV:	-8.69(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)OC3=CC=C(C=C3)N(C)S(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations