Geometry & MOs

Info

ID:	61134
PubChem CID:	26705992
Reduced:	FSN2O6H23C25 (1)
Stoich.:	ABC2D6E23F25 (1)
Weight, g/mol:	498.126086
ΔH_f, kcal/mol:	-201.14
Dipole, Da:	7.06
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)F)NC(=O)[C@@H]4CC5=CC=CC=C5O4

DOS

IR

Vibrations