Geometry & MOs

Info

ID:	153578
PubChem CID:	56312831
Reduced:	NF4O5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	476.087592
ΔH_f, kcal/mol:	-372.45
Dipole, Da:	4.88
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCCC2=CC(=CC3=C2OCOC3)F)OCC(F)(F)F

DOS

IR

Vibrations